Basic information
- CAS
13037-55-3- Standard SMILES
O=C1CSC(=S)N1c1ccc(Cl)cc1- InChIKey
JRWQAQZBEVDDQC-UHFFFAOYSA-N- Molecular formula
- C9H6ClNOS2
- Average molar mass
- 243.7 g/mol
- Monoisotopic mass
- 242.9579339
Names & identifiers
- Preferred name
- Rhodanine, 3-(4-chlorophenyl)-
- IUPAC
- 3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- 3-(4-chlorophenyl)-2-sulfanylidene-thiazolidin-4-one
- Molecular formula
- C9H6ClNOS2
- Molecular weight
- 243.73
Names & synonyms
Rhodanine, 3-(4-chlorophenyl)-3-(4-Chlorophenyl)rhodanine4-Chlorophenyl-N-rhodanineUSAF T-1N-(4-Chlorophenyl)rhodanineRhodanine, 3-(p-chlorophenyl)-4-Thiazolidinone, 3-(4-chlorophenyl)-2-thioxo-N-(4-Chlorophenyl) rhodanineNSC 32120BRN 0012290DTXSID401564944-27-00-03191 (Beilstein Handbook Reference)
Show more names
Rhodanine, 3-(pWLN: T5SYNV EHJ BUS CR DG3-(4-Chlorophenyl)-2-thioxo-4-thiazolidinone, 95%
RefChem:179237DTXCID7078985Rhodanine, 3-(p-chlorophenyl)-(8CI)4-Thiazolidinone, 3-(4-chlorophenyl)-2-thioxo-(9CI)JRWQAQZBEVDDQC-UHFFFAOYSA-N13037-55-33-(4-Chlorophenyl)-2-thioxo-1,3-thiazolidin-4-one3-(4-Chlorophenyl)-2-thioxothiazolidin-4-one
Database identifiers
- CAS
13037-55-3- PubChem CID
- 83070
- DTXSID
DTXSID40156494- Nikkaji
- J48.389C
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
- 264
Physicochemical properties
- Melting point
- 128 · 128-129 °C
- Boiling point
- 370.1 · 370.1±44.0 °C(Predicted)
- Density
- 1.2886 · 1.2886 (rough estimate)
- refractive index
- 1.61 · 1.6100 (estimate)
- pka
- -1.59 · -1.59±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- HazardClass
- IRRITANT
- HS Code
- 2934100090 · 2934100090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934100090
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers4 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]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
5 records
Compound notes
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