2,6-Dimethoxy-4-(2-thiazolidinyl)phenol

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Basic information

CAS: 31404-09-8
Standard SMILES: COc1cc(C2NCCS2)cc(OC)c1O
InChIKey: CKVKWCFSUZXDQQ-UHFFFAOYSA-N
Molecular formula: C11H15NO3S
Average molar mass: 241.31 g/mol
Monoisotopic mass: 241.07726451

Names & identifiers

Preferred name: 2,6-Dimethoxy-4-(2-thiazolidinyl)phenol
IUPAC: 2,6-dimethoxy-4-(1,3-thiazolidin-2-yl)phenol

Names & synonyms

2,6-Dimethoxy-4-(2-thiazolidinyl)phenol31404-09-8Phenol, 2,6-dimethoxy-4-(2-thiazolidinyl)-RefChem:10602602,6-dimethoxy-4-(1,3-thiazolidin-2-yl)phenolBRN 55441262,6-dimethoxy-4-(thiazolidin-2-yl)phenolSCHEMBL12470882DTXSID00953441CKVKWCFSUZXDQQ-UHFFFAOYSA-N

Database identifiers

CAS: 31404-09-8
PubChem CID: 208015
DTXSID: DTXSID00953441
Nikkaji: J79.315I

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 76 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 215

Related reactions

2 records

New reaction record

HRID 338789As productuspto-grants-2014_11

HRID 1748976As productuspto-grants-2015_10

Compound notes

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