F06

2-chlorobenzyl carbamimidothioate

Created:2010-11-16
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count0
Bond Count21
Aromatic Bond Count6
2D diagram of F06

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Chemical Component Summary

Name2-chlorobenzyl carbamimidothioate
Systematic Name (OpenEye OEToolkits)(2-chlorophenyl)methyl carbamimidothioate
FormulaC8 H9 Cl N2 S
Molecular Weight200.688
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccccc1CSC(=[N@H])N
SMILESCACTVS3.370NC(=N)SCc1ccccc1Cl
SMILESOpenEye OEToolkits1.7.0c1ccc(c(c1)CSC(=N)N)Cl
Canonical SMILESCACTVS3.370 NC(=N)SCc1ccccc1Cl
Canonical SMILESOpenEye OEToolkits1.7.0 [H]/N=C(\N)/SCc1ccccc1Cl
InChIInChI1.03 InChI=1S/C8H9ClN2S/c9-7-4-2-1-3-6(7)5-12-8(10)11/h1-4H,5H2,(H3,10,11)
InChIKeyInChI1.03 SFKYKNIIEFCNBX-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 199162
ChEMBL CHEMBL1229095
ChEBI CHEBI:103897