Basic information
- CAS
23538-09-2- Standard SMILES
CC1SC(=S)N(C(C)c2ccccc2)C1=O- InChIKey
QJZUHKFLFBSWMU-UHFFFAOYSA-N- Molecular formula
- C12H13NOS2
- Average molar mass
- 251.4 g/mol
- Monoisotopic mass
- 251.04385639
Names & identifiers
- Preferred name
- 5-Methyl-3-(1-phenylethyl)-2-thioxo-4-thiazolidinone
- IUPAC
- 5-methyl-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
23538-09-2RefChem:10731065-Methyl-3-(1-phenylethyl)-2-thioxo-4-thiazolidinone5-Methyl-3-(alpha-methylbenzyl)rhodanineRhodanine, 5-methyl-3-(alpha-methylbenzyl)-5-methyl-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-oneDTXSID20946299
Database identifiers
- CAS
23538-09-2- PubChem CID
- 211735
- DTXSID
DTXSID20946299
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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