diethoxy-[ethyl(phenyl)phosphinothioyl]sulfanyl-sulfanylidene-λ5-phosphane

C12H20O2P2S3 — CID 12663682

IUPACdiethoxy-[ethyl(phenyl)phosphinothioyl]sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)SP(=S)(CC)c1ccccc1
InChIInChI=1S/C12H20O2P2S3/c1-4-13-16(18,14-5-2)19-15(17,6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKeyANTQCCMUYVAAOA-UHFFFAOYSA-N
MW354.44 g/mol
LogP4.76
Rot. Bonds8

About diethoxy-[ethyl(phenyl)phosphinothioyl]sulfanyl-sulfanylidene-λ5-phosphane

diethoxy-[ethyl(phenyl)phosphinothioyl]sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 12663682) has the molecular formula C12H20O2P2S3 and a molecular weight of 354.44 g/mol. Its IUPAC name is diethoxy-[ethyl(phenyl)phosphinothioyl]sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namediethoxy-[ethyl(phenyl)phosphinothioyl]sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID12663682
Molecular FormulaC12H20O2P2S3
Molecular Weight354.44 g/mol
Exact Mass354.01
IUPAC Namediethoxy-[ethyl(phenyl)phosphinothioyl]sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)SP(=S)(CC)c1ccccc1
InChIInChI=1S/C12H20O2P2S3/c1-4-13-16(18,14-5-2)19-15(17,6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKeyANTQCCMUYVAAOA-UHFFFAOYSA-N
XLogP4.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy-[ethyl(phenyl)phosphinothioyl]sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of diethoxy-[ethyl(phenyl)phosphinothioyl]sulfanyl-sulfanylidene-λ5-phosphane (CID 12663682) is diethoxy-[ethyl(phenyl)phosphinothioyl]sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for diethoxy-[ethyl(phenyl)phosphinothioyl]sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for diethoxy-[ethyl(phenyl)phosphinothioyl]sulfanyl-sulfanylidene-λ5-phosphane is CCOP(=S)(OCC)SP(=S)(CC)c1ccccc1.
What is the InChIKey of diethoxy-[ethyl(phenyl)phosphinothioyl]sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is ANTQCCMUYVAAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2P2S3/c1-4-13-16(18,14-5-2)19-15(17,6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3.
What are the key properties of diethoxy-[ethyl(phenyl)phosphinothioyl]sulfanyl-sulfanylidene-λ5-phosphane?
diethoxy-[ethyl(phenyl)phosphinothioyl]sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 354.44 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[ethyl(phenyl)phosphinothioyl]sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 12663682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).