diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane

C17H41O6P3S6 — CID 87195358

IUPACdiethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
SMILESCCCSP(=O)(OCC)SCCC.CCOP(=S)(OCC)SCSP(=S)(OCC)OCC
InChIInChI=1S/C9H22O4P2S4.C8H19O2PS2/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4;1-4-7-12-11(9,10-6-3)13-8-5-2/h5-9H2,1-4H3;4-8H2,1-3H3
InChIKeySSZUFSLFTYPSNI-UHFFFAOYSA-N
MW626.83 g/mol
LogP9.42
Rot. Bonds20

About diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane

diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane (PubChem CID 87195358) has the molecular formula C17H41O6P3S6 and a molecular weight of 626.83 g/mol. Its IUPAC name is diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane.

Molecular Properties

Compound Namediethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
PubChem CID87195358
Molecular FormulaC17H41O6P3S6
Molecular Weight626.83 g/mol
Exact Mass626.04
IUPAC Namediethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
SMILESCCCSP(=O)(OCC)SCCC.CCOP(=S)(OCC)SCSP(=S)(OCC)OCC
InChIInChI=1S/C9H22O4P2S4.C8H19O2PS2/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4;1-4-7-12-11(9,10-6-3)13-8-5-2/h5-9H2,1-4H3;4-8H2,1-3H3
InChIKeySSZUFSLFTYPSNI-UHFFFAOYSA-N
XLogP9.42
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500626.83
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
CID 165360439
1-[ethoxy(propylsulfanylmethylsulfanyl)phosphoryl]sulfanyl-2-methylpropane
CID 88780070
1-[ethylsulfanyl(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethane
CID 23337985
tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane
CID 23447087
dibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
CID 6612212
diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-lambda5-phosphane
CID 17241
diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-λ5-phosphane
CID 87622218
5-[[ethoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]-3-methyl-1,2,4-oxadiazole
CID 13248047
[propoxy(propylsulfanyl)phosphinothioyl] dipropyl phosphate
CID 22497472
bis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane
CID 101005346
diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane carbamate
CID 18924387
[ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate
CID 22497723

Frequently Asked Questions

What is the IUPAC name of diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane?
The IUPAC name of diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane (CID 87195358) is diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane.
What is the SMILES notation for diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane?
The canonical SMILES for diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane is CCCSP(=O)(OCC)SCCC.CCOP(=S)(OCC)SCSP(=S)(OCC)OCC.
What is the InChIKey of diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane?
The InChIKey is SSZUFSLFTYPSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O4P2S4.C8H19O2PS2/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4;1-4-7-12-11(9,10-6-3)13-8-5-2/h5-9H2,1-4H3;4-8H2,1-3H3.
What are the key properties of diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane?
diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane has a molecular weight of 626.83 g/mol, XLogP of 9.42, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane is sourced from PubChem (CID 87195358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).