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7MH : Summary

Code

7MH

One-letter code

X

Molecule name

1-hydroxy-4,6-dimethylpyridine-2(1H)-thione

Systematic names

ProgramVersionName
ACDLabs 12.01 1-hydroxy-4,6-dimethylpyridine-2(1H)-thione
OpenEye OEToolkits 1.7.6 4,6-dimethyl-1-oxidanyl-pyridine-2-thione

Formula

C7 H9 N O S

Formal charge

0

Molecular weight

155.217 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 S=C1C=C(C=C(N1O)C)C
SMILES CACTVS 3.385 CC1=CC(=S)N(O)C(=C1)C
SMILES OpenEye OEToolkits 1.7.6 CC1=CC(=S)N(C(=C1)C)O
Canonical SMILES CACTVS 3.385 CC1=CC(=S)N(O)C(=C1)C
Canonical SMILES OpenEye OEToolkits 1.7.6 CC1=CC(=S)N(C(=C1)C)O

IUPAC InChI

InChI=1S/C7H9NOS/c1-5-3-6(2)8(9)7(10)4-5/h3-4,9H,1-2H3

IUPAC InChI key

OZNBIIYHOPDSLX-UHFFFAOYSA-N
7MH

wwPDB Information

Atom count

19 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-04-29

Last modified at

2015-03-06

Status

Released

Obsoleted

Not Assigned