4-Methoxy-2-methyl-5-(methylsulfanyl)pyridin-3-ol

HCID 69710

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Basic information

CAS: 703-46-8
Standard SMILES: COc1c(SC)cnc(C)c1O
InChIKey: PZTHSDYEYQLIDM-UHFFFAOYSA-N
Molecular formula: C8H11NO2S
Average molar mass: 185.25 g/mol
Monoisotopic mass: 185.05104977

Names & identifiers

Preferred name: 4-Methoxy-2-methyl-5-(methylsulfanyl)pyridin-3-ol
IUPAC: 4-methoxy-2-methyl-5-methylsulfanylpyridin-3-ol

Names & synonyms

4-methoxy-2-methyl-5-(methylsulfanyl)pyridin-3-olDTXSID40990517RefChem:1071004DTXCID5014176175'-Thiopyridoxol [German]5-Mercapto-pyridoxin [German]BRN 1528402SCHEMBL11450220PZTHSDYEYQLIDM-UHFFFAOYSA-N2-Methyl-3-hydroxy-4-hydroxymethyl-5-mercaptomethyl-pyridin [German]5-21-05-00501 (Beilstein Handbook Reference)

Database identifiers

CAS: 703-46-8
PubChem CID: 69710
DTXSID: DTXSID40990517

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 67.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 145

Related reactions

1 records

New reaction record

HRID 2071371As reactantuspto-grants-1977_09

Compound notes

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