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

HCID 199783

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Basic information

CAS: 4936-68-9
Standard SMILES: CC[N+](C)(CC)CCSP(=S)(SC)SC.[Br-]
InChIKey: ZZPHWBAQRRHHNY-UHFFFAOYSA-M
Molecular formula: C9H23BrNPS4
Average molar mass: 384.4 g/mol
Monoisotopic mass: 382.96343

Names & identifiers

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

Names & synonyms

HC 8214Ammonium, diethyl(2-mercaptoethyl)methyl-, bromide, dimethyl phosphorotetrathioate4936-68-9Ammonium, diethyl(2-mercaptoethyl)methyl-, bromide, S-ester with S,S-dimethylphosphorothioateRefChem:319240DTXSID709642212-{[Bis(methylsulfanyl)phosphorothioyl]sulfanyl}-N,N-diethyl-N-methylethan-1-aminium bromide

Database identifiers

CAS: 4936-68-9
PubChem CID: 199783
DTXSID: DTXSID70964221

Properties

Computed structural properties

Topological polar surface area: 108 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 16
Formal charge: 0
Complexity: 210

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