N-(4-Oxo-2-thioxo-thiazolidin-3-yl)-benzamide
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Basic information
- CAS
13097-06-8- Standard SMILES
O=C(NN1C(=O)CSC1=S)c1ccccc1- InChIKey
RUROHQISFWQEND-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2S2
- Average molar mass
- 252.3 g/mol
- Monoisotopic mass
- 252.00271985
Names & identifiers
- Preferred name
- N-(4-Oxo-2-thioxo-thiazolidin-3-yl)-benzamide
- IUPAC
- N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
- English name
- N-(4-OXO-2-THIOXO-THIAZOLIDIN-3-YL)-BENZAMIDE
- Molecular formula
- C10H8N2O2S2
- Molecular weight
- 252.31
Names & synonyms
13097-06-8N-(4-Oxo-2-thioxo-thiazolidin-3-yl)-benzamideN-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamideN-BenzoylaminorhodanineN-(4-Oxo-2-thioxothiazolidin-3-yl)benzamide3-Benzamidorhodaninebenzamide, n-(4-oxo-2-thioxo-3-thiazolidinyl)-N-(4-oxo-2-thioxo-thiazolidin-3-yl)benzamide3-benzamido-rhodanineChemDiv3_000773SCHEMBL8595198CHEMBL2268839
Show more names
DTXSID60333104RUROHQISFWQEND-UHFFFAOYSA-NHMS1475D03NAA09706STK794837AKOS000417682SDCCGMLS-0064928.P001IDI1_019739
Database identifiers
- CAS
13097-06-8- PubChem CID
- 482274
- DTXSID
DTXSID60333104- ChEMBL
CHEMBL2268839- Nikkaji
- J753.579A
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Melting point
- 173 °C · 173 °C(Solv: benzene (71-43-2))
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- pka
- 8.77 · 8.77±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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