Basic information
- CAS
202805-41-2- Standard SMILES
Cc1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1- InChIKey
XYLOCXOBWQCFED-UHFFFAOYSA-N- Molecular formula
- C15H17N3OS
- Average molar mass
- 287.4 g/mol
- Monoisotopic mass
- 287.10923335
Names & identifiers
- Preferred name
- 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
- IUPAC
- 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
- English name
- 2-[(4,6-DIMETHYL-2-PYRIMIDINYL)SULFANYL]-N-(4-METHYLPHENYL)ACETAMIDE
- Molecular formula
- C15H17N3OS
- Molecular weight
- 287.38
Names & synonyms
202805-41-22-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(4-methylphenyl)acetamideMFCD001691132-((4,6-Dimethylpyrimidin-2-yl)thio)-N-(p-tolyl)acetamide2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamideCBMicro_033938DTXSID701170261STK239198AKOS000713539JS-0038BIM-0034049.P001
Show more names
Acetamide, 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4-methylphenyl)-
CS-0328367ST51050433AB00097760-01AA-768/30891037SR-01000512595SR-01000512595-12-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(p-tolyl)acetamide2-[(4,6-Dimethyl-2-pyrimidinyl)thio]-N-(4-methylphenyl)acetamide
Database identifiers
- CAS
202805-41-2- PubChem CID
- 684286
- DTXSID
DTXSID701170261
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Boiling point
- 500.2 · 500.2±38.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 13.44 · 13.44±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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