Basic information
- CAS
335393-56-1- Standard SMILES
Cc1ccc(C(=O)NC(=S)Nc2ccc(F)cc2)cc1- InChIKey
FFVAHVHZSARXKQ-UHFFFAOYSA-N- Molecular formula
- C15H13FN2OS
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.07326238
Names & identifiers
- Preferred name
- N-[(4-fluorophenyl)carbamothioyl]-4-methylbenzamide
- IUPAC
- N-[(4-fluorophenyl)carbamothioyl]-4-methylbenzamide
- English name
- N-(4-fluorophenyl)-N'-(4-methylbenzoyl)thiourea
- Molecular formula
- C15H13FN2OS
- Molecular weight
- 288.34
Names & synonyms
N-(4-fluorophenyl)-N'-(4-methylbenzoyl)thioureaN-[(4-fluorophenyl)carbamothioyl]-4-methylbenzamideSCHEMBL5458088AKOS000623070ST50266927AG-690/15430731N-{[(4-fluorophenyl)amino]thioxomethyl}(4-methylphenyl)carboxamide335393-56-1Benzamide, N-[[(4-fluorophenyl)amino]thioxomethyl]-4-methyl-
Database identifiers
- CAS
335393-56-1- PubChem CID
- 801931
- EC Number
- 131-621-6
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Density
- 1.316 · 1.316±0.06 g/cm3(Predicted)
- pka
- 8.99 · 8.99±0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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