Basic information
- CAS
64316-58-1- Standard SMILES
CCSSC(=Nc1ccccc1)OCC(C)C- InChIKey
FNQYBSLWCJBKRN-UHFFFAOYSA-N- Molecular formula
- C13H19NOS2
- Average molar mass
- 269.4 g/mol
- Monoisotopic mass
- 269.09080658
Names & identifiers
- Preferred name
- (((Ethyldithio)(isobutoxy)methylene)amino)benzene
- IUPAC
- 2-methylpropyl 1-(ethyldisulfanyl)-N-phenylmethanimidate
Names & synonyms
(((Ethyldithio)(isobutoxy)methylene)amino)benzene64316-58-1NSC261220NSC 261220NSC-261220Carbono(dithioperox)imidic acid, phenyl-, SS-ethyl O-(2-methylpropyl) ester2-methylpropyl 1-(ethyldisulfanyl)-N-phenylmethanimidate86EZG66UGTIsobutyl N-phenyl-1-(ethyldithio)formimidateisobutyl (1Z)-1-(ethyldisulfanyl)-N-phenyl-methanimidateCarbono(dithioperox)imidic acid, SS-ethyl O-(2-methylpropyl) ester
Database identifiers
- CAS
64316-58-1- PubChem CID
- 319216
- UNII
- 86EZG66UGT
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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