N-(((2-Methylphenyl)amino)thioxomethyl)benzamide
Basic information
- CAS
4949-88-6- Standard SMILES
Cc1ccccc1NC(=S)NC(=O)c1ccccc1- InChIKey
LTGMLAWCHYYTCQ-UHFFFAOYSA-N- Molecular formula
- C15H14N2OS
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.08268425
Names & identifiers
- Preferred name
- N-(((2-Methylphenyl)amino)thioxomethyl)benzamide
- IUPAC
- N-[(2-methylphenyl)carbamothioyl]benzamide
- English name
- 1-Benzoyl-3-(2-methylphenyl)thiourea
- Molecular formula
- C15H14N2OS
- Molecular weight
- 270.35
Names & synonyms
4949-88-6B54Y4CVZ2UN-Benzoyl-N'-(o-tolyl)thioureaNSC-5823Benzamide, N-(((2-methylphenyl)amino)thioxomethyl)-Benzamide, N-[[(2-methylphenyl)amino]thioxomethyl]-N-(((2-METHYLPHENYL)AMINO)THIOXOMETHYL)BENZAMIDEN-{[(2-methylphenyl)amino]thioxomethyl}benzamideRefChem:1090619n-[(2-methylphenyl)carbamothioyl]benzamideUSAF K-14713-Benzoyl-1-(o-tolyl)-2-thiourea
Show more names
1-Benzoyl-3-(o-tolyl)thioureaN-[[(2-Methylphenyl)amino]thioxomethyl]benzamide
Urea, 1-benzoyl-2-thio-3-(o-tolyl)-1-benzoyl-3-(2-methylphenyl)thioureaUrea, 1-benzoyl-2-thio-3-o-tolyl-CHEMBL2236347N-Benzoyl-N'-(2-methylphenyl)thioureaNSC 5823BRN 2655998NSC5823
Database identifiers
- CAS
4949-88-6- PubChem CID
- 693365
- DTXSID
DTXSID40197802- ChEMBL
CHEMBL2236347- UNII
- B54Y4CVZ2U
- Nikkaji
- J49.077F
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Melting point
- 105.5 · 105.5-105.6 °C
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- pka
- 8.81 · 8.81±0.70(Predicted)
- FDA UNII
- 54 Y4CVZ2U · B54Y4CVZ2U
Chemistry & industry
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