2-((4-Chloro-phenylcarbamoyl)-methyl-thio)-acetamide
Basic information
- CAS
686313-70-2- Standard SMILES
NC(=O)CSCC(=O)Nc1ccc(Cl)cc1- InChIKey
ZAWYZTSUYJSQKN-UHFFFAOYSA-N- Molecular formula
- C10H11ClN2O2S
- Average molar mass
- 258.73 g/mol
- Monoisotopic mass
- 258.0229765
Names & identifiers
- Preferred name
- 2-((4-Chloro-phenylcarbamoyl)-methyl-thio)-acetamide
- IUPAC
- 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetamide
- English name
- 2-((4-Chloro-phenylcarbamoyl)-methyl-thio)-acetamide
- Molecular formula
- C10H11ClN2O2S
- Molecular weight
- 258.73
Names & synonyms
AKOS0164273532-((4-CHLORO-PHENYLCARBAMOYL)-METHYL-THIO)-ACETAMIDEAcetamide, 2-[(2-amino-2-oxoethyl)thio]-N-(4-chlorophenyl)-
Database identifiers
- CAS
686313-70-2- PubChem CID
- 853487
- EC Number
- 119-613-0
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Boiling point
- 527.89 · 527.890±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.42 · 1.420±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.789 · 12.789±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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