benzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane

C14H26O7P2S2 — CID 21247290

IUPACbenzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)OP(=S)(OCC)OCC.Oc1ccc(O)cc1
InChIInChI=1S/C8H20O5P2S2.C6H6O2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4;7-5-1-2-6(8)4-3-5/h5-8H2,1-4H3;1-4,7-8H
InChIKeyVONQOXSKTCDCER-UHFFFAOYSA-N
MW432.44 g/mol
LogP4.70
Rot. Bonds10

About benzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane

benzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane (PubChem CID 21247290) has the molecular formula C14H26O7P2S2 and a molecular weight of 432.44 g/mol. Its IUPAC name is benzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebenzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane
PubChem CID21247290
Molecular FormulaC14H26O7P2S2
Molecular Weight432.44 g/mol
Exact Mass432.06
IUPAC Namebenzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)OP(=S)(OCC)OCC.Oc1ccc(O)cc1
InChIInChI=1S/C8H20O5P2S2.C6H6O2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4;7-5-1-2-6(8)4-3-5/h5-8H2,1-4H3;1-4,7-8H
InChIKeyVONQOXSKTCDCER-UHFFFAOYSA-N
XLogP4.70
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of benzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane (CID 21247290) is benzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for benzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for benzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane is CCOP(=S)(OCC)OP(=S)(OCC)OCC.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is VONQOXSKTCDCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O5P2S2.C6H6O2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4;7-5-1-2-6(8)4-3-5/h5-8H2,1-4H3;1-4,7-8H.
What are the key properties of benzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane?
benzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 432.44 g/mol, XLogP of 4.70, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 21247290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).