S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate
Basic information
- CAS
13522-40-2- Standard SMILES
CN(C(=O)Sc1ccc([N+](=O)[O-])cc1)c1ccccc1- InChIKey
XSUWPIKBHCMWSA-UHFFFAOYSA-N- Molecular formula
- C14H12N2O3S
- Average molar mass
- 288.32 g/mol
- Monoisotopic mass
- 288.05686342
Names & identifiers
- Preferred name
- S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate
- IUPAC
- S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioate
Names & synonyms
13522-40-2S-(4-nitrophenyl) N-methyl-N-phenylcarbamothioateNSC171496DTXSID60305705NSC-171496S-(4-Nitrophenyl) methyl(phenyl)carbamothioate
Database identifiers
- CAS
13522-40-2- PubChem CID
- 299053
- DTXSID
DTXSID60305705
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 345
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Compound notes
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