2YU

1-hydroxy-4-methylpyridine-2(1H)-thione

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

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1 entries where 2YU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	0

2D diagram of 2YU

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Chemical Component Summary
Name	1-hydroxy-4-methylpyridine-2(1H)-thione
Systematic Name (OpenEye OEToolkits)	4-methyl-1-oxidanyl-pyridine-2-thione
Formula	C₆ H₇ N O S
Molecular Weight	141.191
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	S=C1C=C(C=CN1O)C
SMILES	CACTVS	3.385	CC1=CC(=S)N(O)C=C1
SMILES	OpenEye OEToolkits	1.7.6	CC1=CC(=S)N(C=C1)O
Canonical SMILES	CACTVS	3.385	CC1=CC(=S)N(O)C=C1
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC1=CC(=S)N(C=C1)O
InChI	InChI	1.03	InChI=1S/C6H7NOS/c1-5-2-3-7(8)6(9)4-5/h2-4,8H,1H3
InChIKey	InChI	1.03	RCWJCTXRXJZSQK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	587961
ChEMBL	CHEMBL3326430
CCDC/CSD	TOXTOS

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