Phosphonamidodithioic acid, P-ethyl-N-(1-methylethyl)-, 1,1-dimethylethyl ester

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Basic information

CAS: 87361-61-3
Standard SMILES: CCP(=S)(NC(C)C)SC(C)(C)C
InChIKey: KFJDHGPWLSTRLO-UHFFFAOYSA-N
Molecular formula: C9H22NPS2
Average molar mass: 239.4 g/mol
Monoisotopic mass: 239.09312905

Names & identifiers

Preferred name: Phosphonamidodithioic acid, P-ethyl-N-(1-methylethyl)-, 1,1-dimethylethyl ester
IUPAC: N-[tert-butylsulfanyl(ethyl)phosphinothioyl]propan-2-amine

Names & synonyms

87361-61-3Phosphonamidodithioic acid, P-ethyl-N-(1-methylethyl)-, 1,1-dimethylethyl esterDTXSID501007503tert-Butyl P-ethyl-N-propan-2-ylphosphonamidodithioatetert-Butyl P-ethyl-N-(propan-2-yl)phosphonamidodithioate

Database identifiers

CAS: 87361-61-3
PubChem CID: 159076
DTXSID: DTXSID501007503

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 69.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 13
Formal charge: 0
Complexity: 196

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