Diethylamine, 2,2'-bis(cyanodithio)-N-methyl-, hydrochloride

HCID 45202

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Basic information

CAS: 63915-55-9
Standard SMILES: CN(CCSSC#N)CCSSC#N
InChIKey: DQMJDPBQVYOSNZ-UHFFFAOYSA-N
Molecular formula: C7H11N3S4
Average molar mass: 265.5 g/mol
Monoisotopic mass: 264.98358206

Names & identifiers

Preferred name: Diethylamine, 2,2'-bis(cyanodithio)-N-methyl-, hydrochloride
IUPAC: 2-[2-(cyanodisulfanyl)ethyl-methylamino]ethylsulfanyl thiocyanate

Names & synonyms

Methyl-bis(beta-dithiocyanoethyl)amine hydrochlorideDIETHYLAMINE, 2,2'-BIS(CYANODITHIO)-N-METHYL-, HYDROCHLORIDE63915-55-9DTXSID00213613RefChem:338120DTXCID30136104

Database identifiers

CAS: 63915-55-9
PubChem CID: 45202

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 152 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 14
Formal charge: 0
Complexity: 204

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