(((Isopropyldithio)(methoxy)methylene)amino)benzene

HCID 319218

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Basic information

CAS: 64316-49-0
Standard SMILES: COC(=Nc1ccccc1)SSC(C)C
InChIKey: VXBZGOXXNIJLSE-UHFFFAOYSA-N
Molecular formula: C11H15NOS2
Average molar mass: 241.4 g/mol
Monoisotopic mass: 241.05950645

Names & identifiers

Preferred name: (((Isopropyldithio)(methoxy)methylene)amino)benzene
IUPAC: methyl N-phenyl-1-(propan-2-yldisulfanyl)methanimidate

Names & synonyms

(((Isopropyldithio)(methoxy)methylene)amino)benzene64316-49-0NSC261238NSC 261238NSC-261238Carbono(dithioperox)imidic acid, phenyl-, O-methyl SS-(1-methylethyl) estermethyl N-phenyl-1-(propan-2-yldisulfanyl)methanimidateKX36SFP8KESCHEMBL11714836Methyl N-phenyl-1-(2-propyldithio)formimidatemethyl (1E)-1-(isopropyldisulfanyl)-N-phenyl-methanimidateCarbono(dithioperox)imidic acid, O-methyl SS-(1-methylethyl) ester

Database identifiers

CAS: 64316-49-0
PubChem CID: 319218
UNII: KX36SFP8KE

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 72.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 201

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