2XO

1H-benzimidazol-2-ylmethanethiol

Created:	2014-04-08
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	10

2D diagram of 2XO

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Chemical Component Summary
Name	1H-benzimidazol-2-ylmethanethiol
Systematic Name (OpenEye OEToolkits)	1H-benzimidazol-2-ylmethanethiol
Formula	C₈ H₈ N₂ S
Molecular Weight	164.228
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2c1ccccc1nc2CS
SMILES	CACTVS	3.385	SCc1[nH]c2ccccc2n1
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)[nH]c(n2)CS
Canonical SMILES	CACTVS	3.385	SCc1[nH]c2ccccc2n1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)[nH]c(n2)CS
InChI	InChI	1.03	InChI=1S/C8H8N2S/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10)
InChIKey	InChI	1.03	XGIDEUICZZXBFQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	95983
ChEMBL	CHEMBL2358377

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