Rhodanine, 5-methyl-3-veratryl-
Basic information
- CAS
23538-06-9- Standard SMILES
COc1ccc(CN2C(=O)C(C)SC2=S)cc1OC- InChIKey
LPNTXMJPOZSTGU-UHFFFAOYSA-N- Molecular formula
- C13H15NO3S2
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.04933569
Names & identifiers
- Preferred name
- Rhodanine, 5-methyl-3-veratryl-
- IUPAC
- 3-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
5-Methyl-3-veratrylrhodanineRhodanine, 5-methyl-3-veratryl-23538-06-9RefChem:379282DTXSID009462973-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one3-[(3,4-Dimethoxyphenyl)methyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-onato
Database identifiers
- CAS
23538-06-9- PubChem CID
- 211733
- DTXSID
DTXSID00946297
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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