[4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane

C20H28O6P2S2 — CID 134111736

IUPAC[4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)Oc1ccc(-c2ccc(OP(=S)(OCC)OCC)cc2)cc1
InChIInChI=1S/C20H28O6P2S2/c1-5-21-27(29,22-6-2)25-19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-28(30,23-7-3)24-8-4/h9-16H,5-8H2,1-4H3
InChIKeyHVCMJVRAFOQWDP-UHFFFAOYSA-N
MW490.52 g/mol
LogP6.71
Rot. Bonds13

About [4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane

[4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane (PubChem CID 134111736) has the molecular formula C20H28O6P2S2 and a molecular weight of 490.52 g/mol. Its IUPAC name is [4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane
PubChem CID134111736
Molecular FormulaC20H28O6P2S2
Molecular Weight490.52 g/mol
Exact Mass490.08
IUPAC Name[4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)Oc1ccc(-c2ccc(OP(=S)(OCC)OCC)cc2)cc1
InChIInChI=1S/C20H28O6P2S2/c1-5-21-27(29,22-6-2)25-19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-28(30,23-7-3)24-8-4/h9-16H,5-8H2,1-4H3
InChIKeyHVCMJVRAFOQWDP-UHFFFAOYSA-N
XLogP6.71
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.52
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(4-tert-butylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane
CID 11327235
4-diethoxyphosphinothioyloxybenzoic acid
CID 91003120
diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;zinc
CID 135125865
[4-(4-dimethylphosphinothioyloxyphenyl)phenoxy]-dimethyl-sulfanylidene-λ5-phosphane
CID 88814716
4-[4-(8-diethoxyphosphinothioyloxyoctoxy)phenyl]benzonitrile
CID 163791935
tris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane
CID 101396180
chloro-ethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane
CID 54006175
benzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane
CID 21247290
dihydroxy-methoxy-sulfanylidene-λ5-phosphane;dihydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane;1-[methyl(sulfanyl)phosphoryl]oxyethane
CID 160799266
[(Z)-1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] piperidine-1-carboxylate
CID 24841781
3-diethoxyphosphinothioyloxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 11307
ethoxy-[4-[2-[4-[ethoxy(propylsulfanyl)phosphinothioyl]oxyphenyl]propan-2-yl]phenoxy]-propylsulfanyl-sulfanylidene-λ5-phosphane
CID 88710802

Frequently Asked Questions

What is the IUPAC name of [4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of [4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane (CID 134111736) is [4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for [4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane is CCOP(=S)(OCC)Oc1ccc(-c2ccc(OP(=S)(OCC)OCC)cc2)cc1.
What is the InChIKey of [4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is HVCMJVRAFOQWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O6P2S2/c1-5-21-27(29,22-6-2)25-19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-28(30,23-7-3)24-8-4/h9-16H,5-8H2,1-4H3.
What are the key properties of [4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane?
[4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 490.52 g/mol, XLogP of 6.71, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 134111736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).