Rhodanine, 3-veratryl-
Basic information
- CAS
23538-05-8- Standard SMILES
COc1ccc(CN2C(=O)CSC2=S)cc1OC- InChIKey
GEAXYSILQKHIOI-UHFFFAOYSA-N- Molecular formula
- C12H13NO3S2
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.03368562
Names & identifiers
- Preferred name
- Rhodanine, 3-veratryl-
- IUPAC
- 3-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
Rhodanine, 3-veratryl-3-Veratrylrhodanine23538-05-8DTXSID30178120RefChem:379280DTXCID601006113-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-oneSCHEMBL4405452
Database identifiers
- CAS
23538-05-8- PubChem CID
- 211732
- DTXSID
DTXSID30178120
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
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Related reactions
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Compound notes
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