<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:04:45 UTC</creation_date>
  <update_date>2018-05-28 23:03:57 UTC</update_date>
  <accession>FDB000906</accession>
  <name>Thiabendazole</name>
  <description>Anthelmintic, pre- and postharvest fungicide, also freq. for vet. use. It is used as a postharvest treatment for bananas, plantains and oranges. Registered in Canada for control of silver scurf in stored potatoes

Thiabendazole is a fungicide and parasiticide. Thiabendazole is also a chelating agent, which means that it is used medicinally to bind metals in cases of metal poisoning, such as lead poisoning, mercury poisoning or antimony poisoning. Thiabendazole is vermicidal and/or vermifugal against &lt;i&gt;Ascaris lumbricoides&lt;/i&gt; ("common roundworm"), &lt;i&gt;Strongyloides stercoralis&lt;/i&gt; (threadworm), &lt;i&gt;Necator americanus&lt;/i&gt;, &lt;i&gt;Ancylostoma duodenale&lt;/i&gt; (hookworm), &lt;i&gt;Trichuris trichiura&lt;/i&gt; (whipworm), &lt;i&gt;Ancylostoma braziliense&lt;/i&gt; (dog and cat hookworm), &lt;i&gt;Toxocara canis&lt;/i&gt;, &lt;i&gt;Toxocara cati&lt;/i&gt; (ascarids), and &lt;i&gt;Enterobius vermicularis&lt;/i&gt; (pinworm). Thiabendazole also suppresses egg and/or larval production and may inhibit the subsequent development of those eggs or larvae which are passed in the feces.</description>
  <synonyms>
    <synonym>1H-Benzimidazole, 2-(4-thiazolyl)-</synonym>
    <synonym>1yvm</synonym>
    <synonym>2-(1,3-Thiazol-4-yl)-1H-benzimidazole</synonym>
    <synonym>2-(1,3-Thiazol-4-yl)benzimidazole</synonym>
    <synonym>2-(4-Thiazolyl)-1H-benzimidazole</synonym>
    <synonym>2-(4-Thiazolyl)-benzimidazole</synonym>
    <synonym>2-(4-Thiazolyl)benzimidazole</synonym>
    <synonym>2-(4'-Thiazolyl)benzimidazole</synonym>
    <synonym>2-(Thiazol-4-yl)benzimidazole</synonym>
    <synonym>2-[4-Thiazoly]benzimidazole</synonym>
    <synonym>2-Thiazol-4-yl-1H-benzoimidazole</synonym>
    <synonym>2-Thiazole-4-ylbenzimidazole</synonym>
    <synonym>4-(2-Benzimidazolyl)thiazole</synonym>
    <synonym>5-(4-Thiazolyl)benzimidazole</synonym>
    <synonym>Apl-luster</synonym>
    <synonym>Arbotect</synonym>
    <synonym>Benzimidazole, 2-(4-thiazolyl)-</synonym>
    <synonym>Biogard</synonym>
    <synonym>Bioguard</synonym>
    <synonym>Bovizole</synonym>
    <synonym>Captan t</synonym>
    <synonym>Chemviron TK 100</synonym>
    <synonym>Cropasal</synonym>
    <synonym>Drawipas</synonym>
    <synonym>E-z-ex</synonym>
    <synonym>Eprofil</synonym>
    <synonym>Equivet TZ</synonym>
    <synonym>Equizole</synonym>
    <synonym>Equizole a</synonym>
    <synonym>Helmindrax octelmin</synonym>
    <synonym>Hokustar HP</synonym>
    <synonym>Hymush</synonym>
    <synonym>Lombristop</synonym>
    <synonym>Mertec</synonym>
    <synonym>Mertect</synonym>
    <synonym>Mertect 160</synonym>
    <synonym>Mertect 340f</synonym>
    <synonym>Mertect LSP</synonym>
    <synonym>Metasol tk 10</synonym>
    <synonym>Metasol TK 100</synonym>
    <synonym>Metasol TK-100</synonym>
    <synonym>Mintesol</synonym>
    <synonym>Mintezol</synonym>
    <synonym>Mintezol (TN)</synonym>
    <synonym>Mintezole</synonym>
    <synonym>Minzolum</synonym>
    <synonym>MK 360</synonym>
    <synonym>Mycozol</synonym>
    <synonym>Nemacin</synonym>
    <synonym>Nemapan</synonym>
    <synonym>Omnizole</synonym>
    <synonym>Ormogal</synonym>
    <synonym>Pitrizet</synonym>
    <synonym>Polival</synonym>
    <synonym>Rival</synonym>
    <synonym>RPH</synonym>
    <synonym>Rtu flowable fungicide</synonym>
    <synonym>Sanaizol 100</synonym>
    <synonym>Sistesan</synonym>
    <synonym>Storite</synonym>
    <synonym>Syntol M100</synonym>
    <synonym>TBDZ</synonym>
    <synonym>TBZ</synonym>
    <synonym>TBZ 6</synonym>
    <synonym>TBZ 60W</synonym>
    <synonym>TBZ-6</synonym>
    <synonym>Tebuzate</synonym>
    <synonym>Tecto</synonym>
    <synonym>Tecto 10P</synonym>
    <synonym>Tecto 40F</synonym>
    <synonym>Tecto 60</synonym>
    <synonym>Tecto b</synonym>
    <synonym>Tecto RPH</synonym>
    <synonym>Testo</synonym>
    <synonym>Thiaben</synonym>
    <synonym>Thiabendazol</synonym>
    <synonym>Thiabendazole</synonym>
    <synonym>Thiabendazole (usp)</synonym>
    <synonym>Thiabendazole [bsi:iso]</synonym>
    <synonym>Thiabendazole [usan:ban]</synonym>
    <synonym>Thiabendazole, BAN, BSI, ISO, JMAF, USAN</synonym>
    <synonym>Thiabendazole(usan)</synonym>
    <synonym>Thiabendazolum</synonym>
    <synonym>Thiabendole</synonym>
    <synonym>Thiabenzazole</synonym>
    <synonym>Thiabenzole</synonym>
    <synonym>Thibendole</synonym>
    <synonym>Thibenzol</synonym>
    <synonym>Thibenzole</synonym>
    <synonym>Thibenzole 200</synonym>
    <synonym>Thibenzole att</synonym>
    <synonym>Thiprazole</synonym>
    <synonym>Tiabenda</synonym>
    <synonym>Tiabendazol</synonym>
    <synonym>Tiabendazole</synonym>
    <synonym>Tiabendazole (jan/inn)</synonym>
    <synonym>Tiabendazole, INN</synonym>
    <synonym>Tiabendazolum</synonym>
    <synonym>Tibimix 20</synonym>
    <synonym>TMG</synonym>
    <synonym>Tobaz</synonym>
    <synonym>Top form wormer</synonym>
    <synonym>Tresaderm</synonym>
    <synonym>Triasox</synonym>
    <synonym>Tubazole</synonym>
  </synonyms>
  <chemical_formula>C10H7N3S</chemical_formula>
  <average_molecular_weight>201.248</average_molecular_weight>
  <monisotopic_moleculate_weight>201.036067929</monisotopic_moleculate_weight>
  <iupac_name>2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazole</iupac_name>
  <traditional_iupac>2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazole</traditional_iupac>
  <cas_registry_number>148-79-8</cas_registry_number>
  <smiles>N1C2=C(C=CC=C2)N=C1C1=CN=CS1</smiles>
  <inchi>InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-11-6-14-9/h1-6H,(H,12,13)</inchi>
  <inchikey>GVLDOZDIEFWUJQ-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).</description>
    <direct_parent>Benzimidazoles</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organoheterocyclic compounds</super_class>
    <class>Benzimidazoles</class>
    <sub_class/>
    <molecular_framework>Aromatic heteropolycyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Azacyclic compounds</alternative_parent>
      <alternative_parent>Benzenoids</alternative_parent>
      <alternative_parent>Heteroaromatic compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Imidazoles</alternative_parent>
      <alternative_parent>Organonitrogen compounds</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Thiazoles</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Aromatic heteropolycyclic compound</substituent>
      <substituent>Azacycle</substituent>
      <substituent>Azole</substituent>
      <substituent>Benzenoid</substituent>
      <substituent>Benzimidazole</substituent>
      <substituent>Heteroaromatic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Imidazole</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Thiazole</substituent>
    </substituents>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state>Solid</state>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>1.83</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-3.21</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.25e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>Mp 304-305°</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>1.94</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>10.41</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>4.27</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>2-(1,3-thiazol-5-yl)-1H-1,3-benzodiazole</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>201.248</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>201.036067929</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>N1C2=C(C=CC=C2)N=C1C1=CN=CS1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C10H7N3S</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-11-6-14-9/h1-6H,(H,12,13)</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>GVLDOZDIEFWUJQ-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>41.57</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>65.06</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>20.8</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
  </spectra>
  <hmdb_id>HMDB14868</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id>45979</chebi_id>
  <biocyc_id/>
  <het_id>TMG</het_id>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
    <reference>#&lt;Reference:0x000055ce305c7d68&gt;</reference>
    <reference>#&lt;Reference:0x000055ce305c7bb0&gt;</reference>
    <reference>#&lt;Reference:0x000055ce305c79f8&gt;</reference>
    <reference>#&lt;Reference:0x000055ce305c7840&gt;</reference>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
