RCSB PDB - 6MH Ligand Summary Page

6MH

1-hydroxy-6-methylpyridine-2(1H)-thione

Created: 2014-04-29
Last modified:  2015-03-11

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Chemical Details

Formal Charge0
Atom Count16
Chiral Atom Count0
Bond Count16
Aromatic Bond Count0
2D diagram of 6MH

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Chemical Component Summary

Name1-hydroxy-6-methylpyridine-2(1H)-thione
Systematic Name (OpenEye OEToolkits)6-methyl-1-oxidanyl-pyridine-2-thione
FormulaC6 H7 N O S
Molecular Weight141.191
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01S=C1C=CC=C(N1O)C
SMILESCACTVS3.385CC1=CC=CC(=S)N1O
SMILESOpenEye OEToolkits1.7.6CC1=CC=CC(=S)N1O
Canonical SMILESCACTVS3.385 CC1=CC=CC(=S)N1O
Canonical SMILESOpenEye OEToolkits1.7.6 CC1=CC=CC(=S)N1O
InChIInChI1.03 InChI=1S/C6H7NOS/c1-5-3-2-4-6(9)7(5)8/h2-4,8H,1H3
InChIKeyInChI1.03 KVLOEFKBTCCASR-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 499219
ChEMBL CHEMBL3326432
CCDC/CSD TOXVAG