MZY

1,3-dihydroimidazole-2-thione

Created: 2016-05-12
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count10
Chiral Atom Count0
Bond Count10
Aromatic Bond Count0
2D diagram of MZY

Chemical Component Summary

Name1,3-dihydroimidazole-2-thione
Synonyms2-Mercaptoimidazole
Systematic Name (OpenEye OEToolkits)1,3-dihydroimidazole-2-thione
FormulaC3 H4 N2 S
Molecular Weight100.142
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385S=C1NC=CN1
SMILESOpenEye OEToolkits2.0.5C1=CNC(=S)N1
Canonical SMILESCACTVS3.385 S=C1NC=CN1
Canonical SMILESOpenEye OEToolkits2.0.5 C1=CNC(=S)N1
InChIInChI1.03 InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
InChIKeyInChI1.03 OXFSTTJBVAAALW-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 1201386, 13384
ChEMBL CHEMBL3260774
CCDC/CSD MOVJAL, CEZXEK