2-butylsulfanyl-N-(4-methylphenyl)acetamide
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Basic information
- CAS
773152-21-9- Standard SMILES
CCCCSCC(=O)Nc1ccc(C)cc1- InChIKey
GQLNKXVMIWWZIR-UHFFFAOYSA-N- Molecular formula
- C13H19NOS
- Average molar mass
- 237.36 g/mol
Names & identifiers
- Preferred name
- 2-butylsulfanyl-N-(4-methylphenyl)acetamide
- IUPAC
- 2-butylsulfanyl-N-(4-methylphenyl)acetamide
- English name
- 2-(butylsulfanyl)-N-(4-methylphenyl)acetamide
- Molecular formula
- C13H19NOS
- Molecular weight
- 237.36
Names & synonyms
2-(butylsulfanyl)-N-(4-methylphenyl)acetamide2-butylsulfanyl-N-(4-methylphenyl)acetamideAKOS0023099592-butylthio-N-(4-methylphenyl)acetamideST50479059AP-906/42838091Acetamide, 2-(butylthio)-N-(4-methylphenyl)-
Database identifiers
- CAS
773152-21-9
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 398.9 · 398.9±25.0 °C(Predicted)
- Density
- 1.084 · 1.084±0.06 g/cm3(Predicted)
- pka
- 13.8 · 13.80±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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