Basic information
- CAS
21494-68-8- Standard SMILES
CC1SC(=S)N(Cc2ccccc2)C1=O- InChIKey
ZOMAEZIFFMSAHO-UHFFFAOYSA-N- Molecular formula
- C11H11NOS2
- Average molar mass
- 237.3 g/mol
- Monoisotopic mass
- 237.02820632
Names & identifiers
- Preferred name
- Rhodanine, 3-benzyl-5-methyl-
- IUPAC
- 3-benzyl-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
21494-68-8Rhodanine, 3-benzyl-5-methyl-RefChem:10980553-Benzyl-5-methylrhodanine3-benzyl-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-oneBRN 0787644DTXSID00944096
Database identifiers
- CAS
21494-68-8- PubChem CID
- 210686
- DTXSID
DTXSID00944096- Nikkaji
- J564.392I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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