6N4

2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL

Created:2015-03-03
Last modified:  2015-05-13

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count0
Bond Count24
Aromatic Bond Count10
2D diagram of 6N4

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Chemical Component Summary

Name2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL
Systematic Name (OpenEye OEToolkits)2-(1H-benzimidazol-2-ylsulfanyl)ethanol
FormulaC9 H10 N2 O S
Molecular Weight194.253
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385OCCSc1[nH]c2ccccc2n1
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)[nH]c(n2)SCCO
Canonical SMILESCACTVS3.385 OCCSc1[nH]c2ccccc2n1
Canonical SMILESOpenEye OEToolkits1.7.6 c1ccc2c(c1)[nH]c(n2)SCCO
InChIInChI1.03 InChI=1S/C9H10N2OS/c12-5-6-13-9-10-7-3-1-2-4-8(7)11-9/h1-4,12H,5-6H2,(H,10,11)
InChIKeyInChI1.03 HFDPECWVRWDXHN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 146084