(4-chlorophenyl)sulfinylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane

C11H16ClO3PS3 — CID 566410

IUPAC(4-chlorophenyl)sulfinylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)SCS(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClO3PS3/c1-3-14-16(17,15-4-2)18-9-19(13)11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKeyLAHNDTNSNGVHPJ-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.44
Rot. Bonds8

About (4-chlorophenyl)sulfinylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane

(4-chlorophenyl)sulfinylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane (PubChem CID 566410) has the molecular formula C11H16ClO3PS3 and a molecular weight of 358.87 g/mol. Its IUPAC name is (4-chlorophenyl)sulfinylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Name(4-chlorophenyl)sulfinylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
PubChem CID566410
Molecular FormulaC11H16ClO3PS3
Molecular Weight358.87 g/mol
Exact Mass357.97
IUPAC Name(4-chlorophenyl)sulfinylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)SCS(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClO3PS3/c1-3-14-16(17,15-4-2)18-9-19(13)11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKeyLAHNDTNSNGVHPJ-UHFFFAOYSA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.44
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 (4-chlorophenyl)sulfinylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of (4-chlorophenyl)sulfinylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane (CID 566410) is (4-chlorophenyl)sulfinylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for (4-chlorophenyl)sulfinylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for (4-chlorophenyl)sulfinylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane is CCOP(=S)(OCC)SCS(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)sulfinylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane?
The InChIKey is LAHNDTNSNGVHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClO3PS3/c1-3-14-16(17,15-4-2)18-9-19(13)11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3.
What are the key properties of (4-chlorophenyl)sulfinylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane?
(4-chlorophenyl)sulfinylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane has a molecular weight of 358.87 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)sulfinylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 566410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).