n-(2,4-Difluorophenyl)-n'-(2-methylbenzoyl)thiourea
Basic information
- CAS
892151-47-2- Standard SMILES
Cc1ccccc1C(=O)NC(=S)Nc1ccc(F)cc1F- InChIKey
WHLKULVCHONIGR-UHFFFAOYSA-N- Molecular formula
- C15H12F2N2OS
- Average molar mass
- 306.3 g/mol
- Monoisotopic mass
- 306.06384051
Names & identifiers
- Preferred name
- n-(2,4-Difluorophenyl)-n'-(2-methylbenzoyl)thiourea
- IUPAC
- N-[(2,4-difluorophenyl)carbamothioyl]-2-methylbenzamide
- English name
- N-(2,4-Difluorophenyl)-N'-(2-methylbenzoyl)thiourea
- Molecular formula
- C15H12F2N2OS
- Molecular weight
- 306.33
Names & synonyms
SCHEMBL5445708AKOS024411847n-(2,4-difluorophenyl)-n'-(2-methylbenzoyl)thioureaBenzamide, N-[[(2,4-difluorophenyl)amino]thioxomethyl]-2-methyl-
Database identifiers
- CAS
892151-47-2- PubChem CID
- 4409130
- EC Number
- 131-639-4
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- Density
- 1.372 · 1.372±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.744 · 7.744±0.10(predicted)
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Compound notes
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