Basic information
- CAS
6012-92-6- Standard SMILES
CC1SC(=S)N(c2ccc(Cl)cc2)C1=O- InChIKey
IBWJXVVIEGGYGU-UHFFFAOYSA-N- Molecular formula
- C10H8ClNOS2
- Average molar mass
- 257.8 g/mol
- Monoisotopic mass
- 256.9735839
Names & identifiers
- Preferred name
- Rhodanine, 3-(p-chlorophenyl)-5-methyl-
- IUPAC
- 3-(4-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- 3-(p-Chlorophenyl)-5-methylrhodanine
- Molecular formula
- C10H8ClNOS2
- Molecular weight
- 257.76
Names & synonyms
Rhodanine, 3-(p-chlorophenyl)-5-methyl-RefChem:10980483-(p-Chlorophenyl)-5-methylrhodanineN 2443-(p-Chlorophenyl)-5-methyl rhodanine6012-92-64-Thiazolidinone, 3-(4-chlorophenyl)-5-methyl-2-thioxo-NSC4747NSC43397NSC 4747WLN: T5SYNV EHJ BUS CR DG& E1N-244
Show more names
3-(4-Chlorophenyl)-5-methyl-2-thioxothiazolidin-4-one
NSC 43397BRN 02023234-27-00-03229 (Beilstein Handbook Reference)SCHEMBL415989NSC-4747NSC-433973-(4-chlorophenyl)-5-methyl-2-thioxo-thiazolidin-4-one3-(4-Chlorophenyl)-5-methyl-2-thioxo-1,3-thiazolidin-4-one
Database identifiers
- CAS
6012-92-6- PubChem CID
- 22343
- Nikkaji
- J22.063I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Melting point
- 116 · 116-117 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 372 · 372.0±44.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- -1.55 · -1.55±0.40(Predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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