Ammonium, diethyl(2-mercaptoethyl)methyl-, bromide, S-ester with S,S-dimethylphosphorotrithioate

HCID 21055

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Basic information

CAS: 4936-67-8
Standard SMILES: CC[N+](C)(CC)CCSP(=O)(SC)SC.[Br-]
InChIKey: YQDPRZDBJACJKK-UHFFFAOYSA-M
Molecular formula: C9H23BrNOPS3
Average molar mass: 368.4 g/mol
Monoisotopic mass: 366.98628

Names & identifiers

Preferred name: Ammonium, diethyl(2-mercaptoethyl)methyl-, bromide, S-ester with S,S-dimethylphosphorotrithioate
IUPAC: 2-bis(methylsulfanyl)phosphorylsulfanylethyl-diethyl-methylazanium bromide

Names & synonyms

HC 82094936-67-8Diethyl(2-mercaptoethyl)methylammonium bromide S-ester with S,S-dimethyl phosphorotrithioateAmmonium, diethyl(2-mercaptoethyl)methyl-, bromide, S-ester with S,S-dimethylphosphorotrithioateEthanaminium, 2-((bis(methylthio)phosphinyl)thio)-N,N-diethyl-N-methyl-, bromideRefChem:319241Ethanaminium, 2-((bis(methylthio)phosphinyl)thio)-N,N-diethyl-N-methyl-, bromide (9CI)DTXSID109642202-{[Bis(methylsulfanyl)phosphoryl]sulfanyl}-N,N-diethyl-N-methylethan-1-aminium bromide

Database identifiers

CAS: 4936-67-8
PubChem CID: 21055
DTXSID: DTXSID10964220

Properties

Computed structural properties

Topological polar surface area: 93 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 16
Formal charge: 0
Complexity: 213

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