N-[(4-bromobenzenecarbothioyl)carbamoyl]-2-methylbenzamide
Basic information
- CAS
58554-28-2- Standard SMILES
Cc1ccccc1C(=O)NC(=O)NC(=S)c1ccc(Br)cc1- InChIKey
BEAAFLPWKCYQTP-UHFFFAOYSA-N- Molecular formula
- C16H13BrN2O2S
- Average molar mass
- 377.3 g/mol
- Monoisotopic mass
- 375.98811
Names & identifiers
- Preferred name
- N-[(4-bromobenzenecarbothioyl)carbamoyl]-2-methylbenzamide
- IUPAC
- N-[(4-bromobenzenecarbothioyl)carbamoyl]-2-methylbenzamide
Names & synonyms
58554-28-2N-[(4-bromobenzenecarbothioyl)carbamoyl]-2-methylbenzamideNSC264259DTXSID80398311NSC-264259N-[(4-Bromobenzene-1-carbothioyl)carbamoyl]-2-methylbenzamide
Database identifiers
- CAS
58554-28-2- PubChem CID
- 3971691
- DTXSID
DTXSID80398311
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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