N-[(4-bromophenyl)carbamothioyl]benzamide

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Basic information

CAS: 19249-89-9
Standard SMILES: O=C(NC(=S)Nc1ccc(Br)cc1)c1ccccc1
InChIKey: DZERXFZLQUSBAG-UHFFFAOYSA-N
Molecular formula: C14H11BrN2OS
Average molar mass: 335.22 g/mol
Monoisotopic mass: 333.97755

Names & identifiers

Preferred name: N-[(4-bromophenyl)carbamothioyl]benzamide
IUPAC: N-[(4-bromophenyl)carbamothioyl]benzamide
English name: N-{[(4-bromophenyl)amino]carbonothioyl}benzamide
Molecular formula: C14H11BrN2OS
Molecular weight: 335.22

Names & synonyms

19249-89-9N-[(4-bromophenyl)carbamothioyl]benzamide1-Benzoyl-3-(4-bromophenyl)thioureaCHEMBL2236348ZINC230632N-benzoyl-N'-(4-bromophenyl)thiourea3-BENZOYL-1-(4-BROMOPHENYL)THIOUREASCHEMBL12012124DTXSID10354001BDBM50486919EBC-12357MFCD00126156

Show more names

N-{[(4-bromophenyl)amino]carbonothioyl}benzamideBenzamide, N-[[(4-bromophenyl)amino]thioxomethyl]-

STK076657ZINC00230632N-para-bromophenyl-N'-benzoylthioureaAKOS000492647NBENZOYLN(4BROMOPHENYL)THIOUREA1BENZOYL3(4BROMOPHENYL)THIOUREAAT26583S=C(NC(=O)c1ccccc1)Nc1ccc(cc1)Br

Database identifiers

CAS: 19249-89-9
PubChem CID: 761276
DTXSID: DTXSID10354001
ChEMBL: CHEMBL2236348
Nikkaji: J2.018.030G

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 73.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 323

Physicochemical properties

Melting point: 136 °C · 136 °C
Density: 1.56 · 1.560±0.06 g/cm3(Predicted)
pka: 8.65 · 8.65±0.70(Predicted)

Related reactions

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Compound notes

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