Basic information
- CAS
17062-65-6- Standard SMILES
O=C1CSC(=S)N1c1cccc(Cl)c1- InChIKey
YQPPXOAIYFGXPU-UHFFFAOYSA-N- Molecular formula
- C9H6ClNOS2
- Average molar mass
- 243.7 g/mol
- Monoisotopic mass
- 242.9579339
Names & identifiers
- Preferred name
- Rhodanine, 3-(m-chlorophenyl)-
- IUPAC
- 3-(3-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- 3-(3-chlorophenyl)-2-sulfanylidene-thiazolidin-4-one
- Molecular formula
- C9H6ClNOS2
- Molecular weight
- 243.73
Names & synonyms
Rhodanine, 3-(m-chlorophenyl)-17062-65-63-(m-Chlorophenyl)rhodanine3-(3-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one4-Thiazolidinone, 3-(3-chlorophenyl)-2-thioxo-3-(3-Chlorophenyl)-2-thioxo-4-thiazolidinone3-(3-CHLOROPHENYL)-2-SULFANYLIDENE-THIAZOLIDIN-4-ONEQS26ZJL6RQ3-(3-chlorophenyl)-2-thioxo-1,3-thiazolidin-4-oneNSC-246967NSC 246967BRN 0174099
Show more names
3-(3-Chlorophenyl)-2-thioxo-4-thiazolidinone, 95%
GNF-Pf-708AI3-51498NSC246967BAS 00469126UNII-QS26ZJL6RQMLS001182185CHEMBL602568DTXSID20168914
Database identifiers
- CAS
17062-65-6- PubChem CID
- 99599
- DTXSID
DTXSID20168914- ChEMBL
CHEMBL602568- UNII
- QS26ZJL6RQ
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 272
Experimental & physicochemical properties
Solubility0.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 165 °C · 165 °C
- Boiling point
- 370.3 · 370.3±44.0 °C(Predicted)
- Density
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- pka
- -1.96 · -1.96±0.20(Predicted)
- FDA UNII
- 26 ZJL6RQ · QS26ZJL6RQ
Chemistry & industry
Suppliers2 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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