Basic information
- CAS
503533-99-1- Standard SMILES
CSc1ccccc1C(=O)Nc1cccc(C)n1- InChIKey
KQJYHCVFWFCQKL-UHFFFAOYSA-N- Molecular formula
- C14H14N2OS
- Average molar mass
- 258.34 g/mol
- Monoisotopic mass
- 258.08268425
Names & identifiers
- Preferred name
- N-(6-Methylpyridin-2-yl)-2-(methylsulfanyl)benzamide
- IUPAC
- N-(6-methyl-2-pyridinyl)-2-methylsulfanylbenzamide
- English name
- Benzamide, N-(6-methyl-2-pyridinyl)-2-(methylthio)- (9CI)
- Molecular formula
- C14H14N2OS
- Molecular weight
- 258.34
Names & synonyms
503533-99-1N-(6-methylpyridin-2-yl)-2-(methylsulfanyl)benzamideDTXSID00351786RefChem:362475DTXCID80302852BENZAMIDE, N-(6-METHYL-2-PYRIDINYL)-2-(METHYLTHIO)-N-(6-methylpyridin-2-yl)-2-methylsulfanylbenzamideOprea1_255478KQJYHCVFWFCQKL-UHFFFAOYSA-NAKOS001755719ST4077098AG-205/40776422
Show more names
Benzamide, N-(6-methyl-2-pyridinyl)-2-(methylthio)- (9CI)
N-(6-methyl-2-pyridinyl)-2-(methylthio)benzamideSR-01000534668SR-01000534668-1N-(6-methyl-2-pyridinyl)-2-(methylsulfanyl)benzamideN-(6-Methyl-pyridin-2-yl)-2-methylsulfanyl-benzamideN-(6-methyl(2-pyridyl))(2-methylthiophenyl)carboxamide
Database identifiers
- CAS
503533-99-1- PubChem CID
- 709181
- DTXSID
DTXSID00351786
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Boiling point
- 338.9 · 338.9±37.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 11.73 · 11.73±0.70(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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