AJ3

3-(PROP-2-ENE-1-SULFINYL)-PROPENE-1-THIOL

Created:1999-07-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count1
Bond Count18
Aromatic Bond Count0
2D diagram of AJ3

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Chemical Component Summary

Name3-(PROP-2-ENE-1-SULFINYL)-PROPENE-1-THIOL
Systematic Name (OpenEye OEToolkits)(E)-3-[(R)-prop-2-enylsulfinyl]prop-1-ene-1-thiol
FormulaC6 H10 O S2
Molecular Weight162.273
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(C\C=C)C\C=C\S
SMILESCACTVS3.385SC=CC[S](=O)CC=C
SMILESOpenEye OEToolkits1.7.5C=CCS(=O)CC=CS
Canonical SMILESCACTVS3.385 S\C=C\C[S@](=O)CC=C
Canonical SMILESOpenEye OEToolkits1.7.5 C=CC[S@@](=O)C/C=C/S
InChIInChI1.03 InChI=1S/C6H10OS2/c1-2-5-9(7)6-3-4-8/h2-4,8H,1,5-6H2/b4-3+/t9-/m1/s1
InChIKeyInChI1.03 HSVQDVSVQIMRSS-CDAZIORVSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB02895 
Name3-(Prop-2-Ene-1-Sulfinyl)-Propene-1-Thiol
Groups experimental
Synonyms3-(Prop-2-Ene-1-Sulfinyl)-Propene-1-Thiol

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Glutathione reductase, mitochondrialMALLPRALSAGAGPSWRRAARAFRGFLLLLPEPAALTRALSRAMACRQEP...unknowninhibitor
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 9543424