Basic information
- CAS
439133-17-2- Standard SMILES
O=C(CSc1ccccn1)Nc1ccc(Cl)cc1- InChIKey
SKDOBPMQLYLAJC-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2OS
- Average molar mass
- 278.76 g/mol
- Monoisotopic mass
- 278.0280618
Names & identifiers
- Preferred name
- N-(4-chlorophenyl)-2-(pyridin-2-ylsulfanyl)acetamide
- IUPAC
- N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamide
- English name
- N-(4-CHLOROPHENYL)-2-(2-PYRIDINYLSULFANYL)ACETAMIDE
- Molecular formula
- C13H11ClN2OS
- Molecular weight
- 278.76
Names & synonyms
439133-17-2N-(4-chlorophenyl)-2-(pyridin-2-ylsulfanyl)acetamideN-(4-chlorophenyl)-2-(2-pyridinylsulfanyl)acetamideMFCD00774786N-(4-chlorophenyl)-2-(pyridin-2-ylthio)acetamideN-(4-CHLOROPHENYL)-2-(2-PYRIDINYLTHIO)ACETAMIDEN-(4-Chlorophenyl)-2-[(pyridin-2-yl)sulfanyl]acetamideCBKinase1_002620CBKinase1_015020N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylacetamideDTXSID901241078HMS1690M21
Show more names
Acetamide, N-(4-chlorophenyl)-2-(2-pyridinylthio)-
STK233167AKOS000640698JS-1954CS-0327296ST50022759N-(4-chlorophenyl)-2-(2-pyridylthio)acetamideSR-01000458511N-(4-chlorophenyl)-2-(2-pyridylsulfanyl)acetamide
Database identifiers
- CAS
439133-17-2- PubChem CID
- 708802
- DTXSID
DTXSID901241078
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Boiling point
- 496.3 · 496.3±35.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 12.51 · 12.51±0.70(Predicted)
Chemistry & industry
Suppliers6 total
Carbone Scientific CO., LTD[email protected]
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
BIONET-INTER[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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