Rhodanine, 5-ethyl-3-(m-tolyl)-
Basic information
- CAS
23605-91-6- Standard SMILES
CCC1SC(=S)N(c2cccc(C)c2)C1=O- InChIKey
HPVNGUCBRGIQDH-UHFFFAOYSA-N- Molecular formula
- C12H13NOS2
- Average molar mass
- 251.4 g/mol
- Monoisotopic mass
- 251.04385639
Names & identifiers
- Preferred name
- Rhodanine, 5-ethyl-3-(m-tolyl)-
- IUPAC
- 5-ethyl-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
23605-91-6Rhodanine, 5-ethyl-3-(m-tolyl)-RefChem:10980765-Ethyl-3-(m-tolyl)rhodanineBRN 07952205-ethyl-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-oneDTXSID30946427
Database identifiers
- CAS
23605-91-6- PubChem CID
- 211844
- DTXSID
DTXSID30946427
Properties
Computed structural properties
- XLogP
- 3.7
- 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
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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