1-(benzylcarbamothioyl)-N-(4-bromo-3-methylphenyl)formamide
Basic information
- CAS
329079-16-5- Standard SMILES
Cc1cc(NC(=O)C(=S)NCc2ccccc2)ccc1Br- InChIKey
MGXVOBSAAVASIC-UHFFFAOYSA-N- Molecular formula
- C16H15BrN2OS
- Average molar mass
- 363.3 g/mol
- Monoisotopic mass
- 362.00885
Names & identifiers
- Preferred name
- 1-(benzylcarbamothioyl)-N-(4-bromo-3-methylphenyl)formamide
- IUPAC
- 2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamide
- English name
- 1-(benzylcarbamothioyl)-N-(4-bromo-3-methylphenyl)formamide
- Molecular formula
- C16H15BrN2OS
- Molecular weight
- 363.27
Names & synonyms
329079-16-51-(benzylcarbamothioyl)-N-(4-bromo-3-methylphenyl)formamide2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamideOprea1_5542072-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-thioxoacetamideAKOS005107178JS-0211ST019056N-(4-bromo-3-methylphenyl)-2-[benzylamino]-2-thioxoacetamide2-BENZYLAMINO-N-(4-BROMO-3-METHYL-PHENYL)-2-THIOXO-ACETAMIDEAcetamide, N-(4-bromo-3-methylphenyl)-2-[(phenylmethyl)amino]-2-thioxo-
Database identifiers
- CAS
329079-16-5- PubChem CID
- 980653
- EC Number
- 150-400-5
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Density
- 1.476 · 1.476±0.06 g/cm3(Predicted)
- pka
- 9.83 · 9.83±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, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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