ethoxy-(4-methylsulfinylphenoxy)-propylsulfanyl-sulfanylidene-lambda5-phosphane

C12H19O3PS3 — CID 588272

IUPACethoxy-(4-methylsulfinylphenoxy)-propylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCCSP(=S)(OCC)Oc1ccc(S(C)=O)cc1
InChIInChI=1S/C12H19O3PS3/c1-4-10-18-16(17,14-5-2)15-11-6-8-12(9-7-11)19(3)13/h6-9H,4-5,10H2,1-3H3
InChIKeyCBVUFUJJOXRACG-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.21
Rot. Bonds8

About ethoxy-(4-methylsulfinylphenoxy)-propylsulfanyl-sulfanylidene-lambda5-phosphane

ethoxy-(4-methylsulfinylphenoxy)-propylsulfanyl-sulfanylidene-lambda5-phosphane (PubChem CID 588272) has the molecular formula C12H19O3PS3 and a molecular weight of 338.46 g/mol. Its IUPAC name is ethoxy-(4-methylsulfinylphenoxy)-propylsulfanyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Nameethoxy-(4-methylsulfinylphenoxy)-propylsulfanyl-sulfanylidene-lambda5-phosphane
PubChem CID588272
Molecular FormulaC12H19O3PS3
Molecular Weight338.46 g/mol
Exact Mass338.02
IUPAC Nameethoxy-(4-methylsulfinylphenoxy)-propylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCCSP(=S)(OCC)Oc1ccc(S(C)=O)cc1
InChIInChI=1S/C12H19O3PS3/c1-4-10-18-16(17,14-5-2)15-11-6-8-12(9-7-11)19(3)13/h6-9H,4-5,10H2,1-3H3
InChIKeyCBVUFUJJOXRACG-UHFFFAOYSA-N
XLogP4.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethoxy-(4-methylsulfinylphenoxy)-propylsulfanyl-sulfanylidene-lambda5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Temephos
CID 5392
Fensulfothion
CID 8292
Sulprofos
CID 37125
Propaphos
CID 23717
Phosphonothioic acid, methyl-, O-ethyl O-(4-(methylthio)phenyl) ester
CID 17612
Dimethyl 4-(methylthio)phenyl phosphate
CID 18621
Fensulfothion oxon sulfone
CID 80214
Fensulfothion oxon
CID 81038
Fensulfothion sulfone
CID 26595
Phosphorothioic acid, O,O-diethyl O-(4-(methylthio)phenyl) ester
CID 76488
Phosphoric acid, diethyl 4-(methylthio)phenyl ester
CID 76487
4-(Thiiran-2-ylmethylsulfonyl)phenyl methanesulfonate
CID 51346773

Frequently Asked Questions

What is the IUPAC name of ethoxy-(4-methylsulfinylphenoxy)-propylsulfanyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of ethoxy-(4-methylsulfinylphenoxy)-propylsulfanyl-sulfanylidene-lambda5-phosphane (CID 588272) is ethoxy-(4-methylsulfinylphenoxy)-propylsulfanyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for ethoxy-(4-methylsulfinylphenoxy)-propylsulfanyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for ethoxy-(4-methylsulfinylphenoxy)-propylsulfanyl-sulfanylidene-lambda5-phosphane is CCCSP(=S)(OCC)Oc1ccc(S(C)=O)cc1.
What is the InChIKey of ethoxy-(4-methylsulfinylphenoxy)-propylsulfanyl-sulfanylidene-lambda5-phosphane?
The InChIKey is CBVUFUJJOXRACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O3PS3/c1-4-10-18-16(17,14-5-2)15-11-6-8-12(9-7-11)19(3)13/h6-9H,4-5,10H2,1-3H3.
What are the key properties of ethoxy-(4-methylsulfinylphenoxy)-propylsulfanyl-sulfanylidene-lambda5-phosphane?
ethoxy-(4-methylsulfinylphenoxy)-propylsulfanyl-sulfanylidene-lambda5-phosphane has a molecular weight of 338.46 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(4-methylsulfinylphenoxy)-propylsulfanyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 588272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).