2-Thiazolidinethione, 4-hydroxy-4-phenyl-3-veratryl-
Basic information
- CAS
23509-75-3- Standard SMILES
COc1ccc(CN2C(=S)SCC2(O)c2ccccc2)cc1OC- InChIKey
RLQQLCQLNPFOGV-UHFFFAOYSA-N- Molecular formula
- C18H19NO3S2
- Average molar mass
- 361.5 g/mol
- Monoisotopic mass
- 361.08063582
Names & identifiers
- Preferred name
- 2-Thiazolidinethione, 4-hydroxy-4-phenyl-3-veratryl-
- IUPAC
- 3-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione
Names & synonyms
23509-75-34-Hydroxy-4-phenyl-3-veratryl-2-thiazolidinethione2-Thiazolidinethione, 4-hydroxy-4-phenyl-3-veratryl-RefChem:2672803-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thioneDTXSID80946215
Database identifiers
- CAS
23509-75-3- PubChem CID
- 211653
- DTXSID
DTXSID80946215
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 444
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Compound notes
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