chloro-diethoxy-sulfanylidene-λ5-phosphane

C8H20Cl2O4P2S2 — CID 160646785

IUPACchloro-diethoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(Cl)OCC.CCOP(=S)(Cl)OCC
InChIInChI=1S/2C4H10ClO2PS/c2*1-3-6-8(5,9)7-4-2/h2*3-4H2,1-2H3
InChIKeyRJWNUAPWGKDHSO-UHFFFAOYSA-N
MW377.23 g/mol
LogP5.05
Rot. Bonds8

About chloro-diethoxy-sulfanylidene-λ5-phosphane

chloro-diethoxy-sulfanylidene-λ5-phosphane (PubChem CID 160646785) has the molecular formula C8H20Cl2O4P2S2 and a molecular weight of 377.23 g/mol. Its IUPAC name is chloro-diethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namechloro-diethoxy-sulfanylidene-λ5-phosphane
PubChem CID160646785
Molecular FormulaC8H20Cl2O4P2S2
Molecular Weight377.23 g/mol
Exact Mass375.97
IUPAC Namechloro-diethoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(Cl)OCC.CCOP(=S)(Cl)OCC
InChIInChI=1S/2C4H10ClO2PS/c2*1-3-6-8(5,9)7-4-2/h2*3-4H2,1-2H3
InChIKeyRJWNUAPWGKDHSO-UHFFFAOYSA-N
XLogP5.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.23
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

chloro-(2,2-dimethylpropoxy)-ethoxy-sulfanylidene-λ5-phosphane
CID 22129496
[chlorooxy(ethoxy)phosphinothioyl] hypochlorite
CID 20976777
chloro-(4-chloro-3,5-dimethylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane
CID 54252513
diethoxy-methanidyl-sulfanylidene-λ5-phosphane
CID 23416615
diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229302
diethoxy-fluoro-sulfanylidene-λ5-phosphane
CID 11263763
CID 156593652
CID 156593652
ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride
CID 88641033
azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 14449583
bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);platinum(2+)
CID 11319040
potassium diethoxy-sulfanylidene-sulfido-lambda5-phosphane
CID 18941
chloro-ethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane
CID 54006175

Frequently Asked Questions

What is the IUPAC name of chloro-diethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of chloro-diethoxy-sulfanylidene-λ5-phosphane (CID 160646785) is chloro-diethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for chloro-diethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for chloro-diethoxy-sulfanylidene-λ5-phosphane is CCOP(=S)(Cl)OCC.CCOP(=S)(Cl)OCC.
What is the InChIKey of chloro-diethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is RJWNUAPWGKDHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10ClO2PS/c2*1-3-6-8(5,9)7-4-2/h2*3-4H2,1-2H3.
What are the key properties of chloro-diethoxy-sulfanylidene-λ5-phosphane?
chloro-diethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 377.23 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-diethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 160646785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).