Allophanic acid, 4,4-dimethyl-2-phenyl-1,3-dithio-, O-phenyl ester
Basic information
- CAS
10506-38-4- Standard SMILES
CN(C)C(=S)N(C(=S)Oc1ccccc1)c1ccccc1- InChIKey
FKNXZLKYSGZWRV-UHFFFAOYSA-N- Molecular formula
- C16H16N2OS2
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.07040549
Names & identifiers
- Preferred name
- Allophanic acid, 4,4-dimethyl-2-phenyl-1,3-dithio-, O-phenyl ester
- IUPAC
- O-phenyl N-(dimethylcarbamothioyl)-N-phenylcarbamothioate
Names & synonyms
10506-38-4Allophanic acid, 4,4-dimethyl-2-phenyl-1,3-dithio-, O-phenyl esterRefChem:318051o-Phenyl 4,4-dimethyl-2-phenyl-1,3-dithioallophanateFKNXZLKYSGZWRV-UHFFFAOYSA-NDTXSID301164084O-Phenyl (dimethylcarbamothioyl)phenylcarbamothioateo-Phenyl (dimethylamino)carbothioyl(phenyl)thiocarbamate #
Database identifiers
- CAS
10506-38-4- PubChem CID
- 560356
- DTXSID
DTXSID301164084- Nikkaji
- J1.392.274H
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
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Compound notes
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