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Showing Compound Sulfur (FDB003717)

Record Information
Version1.0
Creation date2010-04-08 22:05:55 UTC
Update date2019-11-26 02:59:31 UTC
Primary IDFDB003717
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSulfur
DescriptionSulfur or sulphur is the chemical element with atomic number 16, represented by the symbol S. At normal conditions, sulfur atoms form cyclic octatomic molecules with chemical formula S8. Elemental sulfur is a bright yellow crystalline solid. In nature, sulfur can be found as the pure element and as sulfide and sulfate minerals. Sulfur is an essential element for all life, and is widely used in biochemical processes. Sulfur in organic form is present in the vitamins biotin and thiamine. Sulfur is an important part of many enzymes and also in antioxidant molecules like glutathione and thioredoxin. Organically bonded sulfur is a component of all proteins, as the amino acids cysteine and methionine. Disulfide bonds are largely responsible for the mechanical strength and insolubility of the protein keratin, found in outer skin, hair, and feathers, and the element contributes to their pungent odor when burned.
CAS Number7704-34-9
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
16SChEBI
AzufreChEBI
Elemental sulfurChEBI
SChEBI
SchwefelChEBI
SoufreChEBI
SulphurChEBI
TheionChEBI
Sulfur, sublimedKegg
BensulfoidKegg
SastidKegg
Elemental sulphurGenerator
Sulphur, sublimedGenerator
BensulphoidGenerator
Sulfur atommanual
Predicted Properties
PropertyValueSource
logP0.61ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity5.76 m³·mol⁻¹ChemAxon
Polarizability2.93 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaS
IUPAC namesulfanylidene
InChI IdentifierInChI=1S/S
InChI KeyNINIDFKCEFEMDL-UHFFFAOYSA-N
Isomeric SMILES[S]
Average Molecular Weight32.065
Monoisotopic Molecular Weight31.97207069
Classification
Description Belongs to the class of inorganic compounds known as other non-metal sulfides. These are inorganic compounds containing a sulfur atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of other non-metals.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassOther non-metal organides
Sub ClassOther non-metal sulfides
Direct ParentOther non-metal sulfides
Alternative ParentsNot Available
Substituents
  • Other non-metal sulfide
Molecular FrameworkNot Available
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting Point-85.49 oC
Boiling PointNot Available
Experimental Water Solubility3.74 mg/mL at 21 oCVENABLE,CS & FUWA,T (1922)
Experimental logPNot Available
Experimental pKa7.04
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
SpectraNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDC00087
Pubchem Compound IDNot Available
Pubchem Substance IDNot Available
ChEBI ID26833
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB31433
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDSULFUR
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDSulfur
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / Bioactivities
DescriptorIDDefinitionReference
acarifuge25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.DUKE
anti acne50177 A drug used to treat or prevent skin disorders or for the routine care of skin.DUKE
anti arthritic52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
anti dandruffDUKE
anti greyDUKE
anti osteoarthritic52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
anti seborrheic52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
anti septic33281 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.DUKE
comedogenicDUKE
keratolyticDUKE
laxative50503 An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic.DUKE
parasiticideDUKE
pesticide25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.DUKE
scabicide73333 An acaricide that kills mites of the genus Sarcoptes.DUKE
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).