Bis(diisopropoxythiophosphinoyl) trisulphide

HCID 81971

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Basic information

CAS: 7464-03-1
Standard SMILES: CC(C)OP(=S)(OC(C)C)SSSP(=S)(OC(C)C)OC(C)C
InChIKey: OJMINUQWQVCAIE-UHFFFAOYSA-N
Molecular formula: C12H28O4P2S5
Average molar mass: 458.6 g/mol
Monoisotopic mass: 458.00663923

Names & identifiers

Preferred name: Bis(diisopropoxythiophosphinoyl) trisulphide
IUPAC: [di(propan-2-yloxy)phosphinothioyltrisulfanyl]-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane
English name: Bis[bis(isopropyloxy)phosphino] perpentasulfide
Molecular formula: C12H28O4P2S5
Molecular weight: 458.620842

Names & synonyms

7464-03-1Bis(diisopropoxythiophosphinoyl) trisulphideNSC403339DTXSID80225618OJMINUQWQVCAIE-UHFFFAOYSA-NEINECS 231-257-9NSC 403339NSC-403339NS000474252,10-Dimethyl-4,8-bis[(propan-2-yl)oxy]-3,9-dioxa-5,6,7-trithia-4lambda~5~,8lambda~5~-diphosphaundecane-4,8-dithioneBis[bis(isopropyloxy)phosphino] perpentasulfide

Database identifiers

CAS: 7464-03-1
PubChem CID: 81971
DTXSID: DTXSID80225618
EC Number: 231-257-9

Properties

Computed structural properties

XLogP: 6.9
Topological polar surface area: 177 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 9
Rotatable bonds: 12
Heavy atoms: 23
Formal charge: 0
Complexity: 366

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