N-Methyl-4-nitro-N-phenylbenzene-1-carbothioamide
Basic information
- CAS
61821-45-2- Standard SMILES
CN(C(=S)c1ccc([N+](=O)[O-])cc1)c1ccccc1- InChIKey
DWPNSXQPBJZQLE-UHFFFAOYSA-N- Molecular formula
- C14H12N2O2S
- Average molar mass
- 272.32 g/mol
- Monoisotopic mass
- 272.0619488
Names & identifiers
- Preferred name
- N-Methyl-4-nitro-N-phenylbenzene-1-carbothioamide
- IUPAC
- N-methyl-4-nitro-N-phenylbenzenecarbothioamide
Names & synonyms
N-Methyl-4-nitro-N-phenylbenzene-1-carbothioamide61821-45-2DTXSID90572786RefChem:364483DTXCID10523558
Database identifiers
- CAS
61821-45-2- PubChem CID
- 15439136
- DTXSID
DTXSID90572786- Nikkaji
- J1.352.609E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…