Sulfides (CHEM025361)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-25 22:20:54 UTC
Update Date2016-11-09 01:18:04 UTC
Accession NumberCHEM025361
Identification
Common NameSulfides
ClassSmall Molecule
DescriptionA divalent inorganic anion obtained by removal of both protons from hydrogen sulfide.
Contaminant Sources
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
S(2-)ChEBI
SulphideChEBI
SulfanediideHMDB
SulfurHMDB
Sulphide(2-)HMDB
SulfideChEBI
Chemical FormulaS
Average Molecular Mass32.065 g/mol
Monoisotopic Mass31.972 g/mol
CAS Registry Number18496-25-8
IUPAC Namesulfanediide
Traditional Namesulfanediide
SMILES[S--]
InChI IdentifierInChI=1S/S/q-2
InChI KeyUCKMPCXJQFINFW-UHFFFAOYSA-N
Chemical Taxonomy
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
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
logP-0.038ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity5.76 m³·mol⁻¹ChemAxon
Polarizability2.93 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
GC-MSGC-MS Spectrum - GC-MS (2 TMS)splash10-03di-1900000000-447434090a2b915c1731Spectrum
GC-MSGC-MS Spectrum - GC-MS (Non-derivatized)splash10-03di-1900000000-447434090a2b915c1731Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-05710009cb2405db27bdSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-05710009cb2405db27bdSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-05710009cb2405db27bdSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-1ca61b38a516c734a4dbSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-1ca61b38a516c734a4dbSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-1ca61b38a516c734a4dbSpectrum
MSMass Spectrum (Electron Ionization)splash10-001i-9000000000-5373be1d46feb66d09a8Spectrum
1D NMR1H NMR SpectrumNot AvailableSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0000598
FooDB IDFDB022136
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkSulfide
Chemspider ID27079
ChEBI ID15138
PubChem Compound ID29109
Kegg Compound IDC00087
YMDB IDYMDB00121
ECMDB IDECMDB00598
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. Green, Martina; Verkoczy, Bela; Lown, Elizabeth M.; Strausz, Otto P. The reactions of sulfur atoms with propadiene and 1,2-butadiene. Canadian Journal of Chemistry (1985), 63(3), 667-75.
2. Park, Y. W; Juárez, Manuela ; Ramos, M.; Haenlein, G. F. W.. Physico-chemical characteristics of goat and sheep milk. Small Ruminant Res.(2007) 68:88-113 doi: 10.1016/j.smallrumres.2006.09.013
3. Green, Martina; Verkoczy, Bela; Lown, Elizabeth M.; Strausz, Otto P. The reactions of sulfur atoms with propadiene and 1,2-butadiene. Canadian Journal of Chemistry (1985), 63(3), 667-75.
4. Yoshida K, Kuroda K, Zhou X, Inoue Y, Date Y, Wanibuchi H, Fukushima S, Endo G: Urinary sulfur-containing metabolite produced by intestinal bacteria following oral administration of dimethylarsinic acid to rats. Chem Res Toxicol. 2003 Sep;16(9):1124-9.
5. Vargas HI, Vargas MP, Gonzalez KD, Burla M, Venegas R, Diggles L, Mishkin F, Klein SR, Khalkhali I: Immediate preoperative injection of 99m-Tc sulfur colloid is effective in the detection of breast sentinel lymph nodes. Am Surg. 2002 Dec;68(12):1083-7.
6. Yonezawa H, Takasaki K, Teraoka K, Asaka T, Sato C, Tsuchiya K: Effects of tongue and oral mucosa cleaning on oral Candida species and production of volatile sulfur compounds in the elderly in a nursing home. J Med Dent Sci. 2003 Mar;50(1):1-8.
7. Pandit-Taskar N, Dauer LT, Montgomery L, St Germain J, Zanzonico PB, Divgi CR: Organ and fetal absorbed dose estimates from 99mTc-sulfur colloid lymphoscintigraphy and sentinel node localization in breast cancer patients. J Nucl Med. 2006 Jul;47(7):1202-8.
8. Dauphine CE, Khalkhali I, Vargas MP, Isaac NM, Haukoos J, Vargas HI: Intraoperative injection of technetium-99m sulfur colloid is effective in the detection of sentinel lymph nodes in breast cancer. Am J Surg. 2006 Oct;192(4):423-6.
9. Koshimune S, Awano S, Gohara K, Kurihara E, Ansai T, Takehara T: Low salivary flow and volatile sulfur compounds in mouth air. Oral Surg Oral Med Oral Pathol Oral Radiol Endod. 2003 Jul;96(1):38-41.
10. Walash MI, Metwally ME, El-Brashy AM, Abdelal AA: Kinetic spectrophotometric determination of some sulfur containing compounds in pharmaceutical preparations and human serum. Farmaco. 2003 Dec;58(12):1325-32.
11. Macone A, Matarese RM, Gentili V, Antonucci A, Dupre S, Nardini M: Effect of aminoethylcysteine ketimine decarboxylated dimer, a natural sulfur compound present in human plasma, on tert-butyl hydroperoxide-induced oxidative stress in human monocytic U937 cells. Free Radic Res. 2004 Jul;38(7):705-14.
12. Lee CH, Kho HS, Chung SC, Lee SW, Kim YK: The relationship between volatile sulfur compounds and major halitosis-inducing factors. J Periodontol. 2003 Jan;74(1):32-7.
13. de la Flor St Remy RR, Montes-Bayon M, Sanz-Medel A: Determination of total homocysteine in human serum by capillary gas chromatography with sulfur-specific detection by double focusing ICP-MS. Anal Bioanal Chem. 2003 Sep;377(2):299-305. Epub 2003 Jul 3.
14. Codipilly DP, Kaufman HW, Kleinberg I: Use of a novel group of oral malodor measurements to evaluate an anti-oral malodor mouthrinse (TriOralTM) in humans. J Clin Dent. 2004;15(4):98-104.
15. Joseph UA, Barron BJ, Lamki LM: Rim sign in Tc-99m sulfur colloid hepatic scintigraphy. Clin Nucl Med. 2005 Apr;30(4):284-5.
16. Fasl H, Stana J, Stropnik D, Strnad S, Stana-Kleinschek K, Ribitsch V: Improvement of the hemocompatibility of PET surfaces using different sulphated polysaccharides as coating materials. Biomacromolecules. 2010 Feb 8;11(2):377-81. doi: 10.1021/bm9010084.
17. Li L, Moore PK: An overview of the biological significance of endogenous gases: new roles for old molecules. Biochem Soc Trans. 2007 Nov;35(Pt 5):1138-41.
18. Melino S, Sabelli R, Paci M: Allyl sulfur compounds and cellular detoxification system: effects and perspectives in cancer therapy. Amino Acids. 2011 Jun;41(1):103-12. doi: 10.1007/s00726-010-0522-6. Epub 2010 Mar 6.
19. Knowles LM, Milner JA: Allyl sulfides modify cell growth. Drug Metabol Drug Interact. 2000;17(1-4):81-107.
20. Santhosh-Kumar CR, Hassell KL, Deutsch JC, Kolhouse JF: Are neuropsychiatric manifestations of folate, cobalamin and pyridoxine deficiency mediated through imbalances in excitatory sulfur amino acids? Med Hypotheses. 1994 Oct;43(4):239-44.
21. Duke, James A. (1992) Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.