Record Information
Version1.0
Creation date2010-04-08 22:08:42 UTC
Update date2018-05-29 00:47:11 UTC
Primary IDFDB009599
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameHydrogen sulfide (H2S)
DescriptionFound in coal pits, gas wells, sulfur springs, produced from decaying sulfur-containing org. matter. Synth. from CaS + MgCl2 + H2O; Highly toxic (CCD) Hydrogen sulfide (British English: hydrogen sulphide) is the chemical compound with the formula H2S. It is a colorless, very poisonous, flammable gas with the characteristic foul odor of rotten eggs at concentrations up to 100 parts per million. It often results from the bacterial breakdown of organic matter in the absence of oxygen, such as in swamps and sewers; this process is commonly known as anaerobic digestion. It also occurs in volcanic gases, natural gas, and some well waters. The human body produces small amounts of H2S and uses it as a signaling molecule.
CAS Number7783-06-4
Structure
Thumb
Synonyms
SynonymSource
[SH2]ChEBI
Acide sulfhydriqueChEBI
Dihydrogen monosulfideChEBI
Dihydrogen sulfideChEBI
H2SChEBI
Hydrogen monosulfideChEBI
Hydrogen sulphideChEBI
Hydrogen-sulfideChEBI
Hydrogene sulfureChEBI
HYDROsulfURIC ACIDChEBI
SchwefelwasserstoffChEBI
SulfideChEBI
Sulfure d'hydrogeneChEBI
Acide sulphhydriqueGenerator
Dihydrogen monosulphideGenerator
Dihydrogen sulphideGenerator
Hydrogen monosulphideGenerator
Hydrogen-sulphideGenerator
Hydrogene sulphureGenerator
HYDROsulfateGenerator
HYDROsulphateGenerator
HYDROsulphuric acidGenerator
SulphideGenerator
Sulphure d'hydrogeneGenerator
Dihydrogen disulfideHMDB
HepatateHMDB
Hepatic acidHMDB
Hepatic gasHMDB
HydrosulfurateHMDB
Idrogeno solforatoHMDB
Sewer gasHMDB
SiarkowodorHMDB
Sour gasHMDB
Stink dAMPHMDB
Sulfur hydrideHMDB
Sulfur hydroxideHMDB
Sulfureted hydrogenHMDB
Sulfuretted hydrogenHMDB
ZwavelwaterstofHMDB
Sulfide, hydrogenHMDB
Hydrogen sulfide (H2(SX))HMDB
Hydrogen sulfide (H2S2)HMDB
Hydrogen sulfide (H2S3)HMDB
Hydrogen sulfidemanual
hydroSulfateGenerator
hydroSulfurateHMDB
Hydrosulfuric acidmanual
hydroSulphateGenerator
hydroSulphuric acidGenerator
Monosulfanemanual
Sulfanemanual
Predicted Properties
PropertyValueSource
logP-0.037ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity7.36 m³·mol⁻¹ChemAxon
Polarizability3.45 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaH2S
IUPAC namehydrogen sulfide
InChI IdentifierInChI=1S/H2S/h1H2
InChI KeyRWSOTUBLDIXVET-UHFFFAOYSA-N
Isomeric SMILESS
Average Molecular Weight34.081
Monoisotopic Molecular Weight33.987720754
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 Parents
Substituents
  • Other non-metal sulfide
  • Inorganic sulfide
Molecular FrameworkNot Available
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateLiquid
Physical DescriptionNot Available
Mass CompositionH 5.91%; S 94.09%CCD
Melting PointMp -82.9°CCD
Boiling PointBp -59.4 °CCD
Experimental Water Solubility3.74 mg/mL at 21 oCVENABLE,CS & FUWA,T (1922)
Experimental logPNot Available
Experimental pKa7.04p Ka16.88 ( 20° ) p Ka214.15 ( 20° )CCD
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
Densityd -60 0.99CCD
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
GC-MSGC-MS Spectrum - GC-MS (2 TMS)splash10-03di-1900000000-447434090a2b915c1731View in MoNA
GC-MSGC-MS Spectrum - GC-MS (Non-derivatized)splash10-03di-1900000000-447434090a2b915c1731View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9000000000-3a89a2549173c5c1687fView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-2d63abb89fd699a31707View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-2d63abb89fd699a31707View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-2d63abb89fd699a31707View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-2d63abb89fd699a31707View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-2d63abb89fd699a31707View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-2d63abb89fd699a31707View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-05710009cb2405db27bdView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-05710009cb2405db27bdView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-05710009cb2405db27bdView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-05710009cb2405db27bdView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-05710009cb2405db27bdView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-05710009cb2405db27bdView in MoNA
MSMass Spectrum (Electron Ionization)splash10-001i-9000000000-5373be1d46feb66d09a8View in MoNA
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
ChemSpider ID391
ChEMBL IDCHEMBL1200739
KEGG Compound IDC00283
Pubchem Compound ID402
Pubchem Substance IDNot Available
ChEBI ID16136
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB03276
CRC / DFC (Dictionary of Food Compounds) IDJRZ59-A:JRZ59-A
EAFUS ID1719
Dr. Duke IDHYDROGEN-SULFIDE
BIGG IDNot Available
KNApSAcK IDC00007266
HET IDH2S
Flavornet IDNot Available
GoodScent IDrw1038291
SuperScent IDNot Available
Wikipedia IDHydrogen_sulfide
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
genotoxic50902 A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells.CHEBI
Enzymes
NameGene NameUniProt ID
Cytochrome P450, family 1, subfamily A, polypeptide 1CYP1A1A0N0X8
Cytochrome P450 2D6CYP2D6Q6NWU0
Cystathionine gamma-lyaseCTHP32929
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
rotten
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
egg
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSshow
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).