chloro-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane

C4H10ClOPS2 — CID 11095737

IUPACchloro-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCSP(=S)(Cl)OC
InChIInChI=1S/C4H10ClOPS2/c1-3-4-9-7(5,8)6-2/h3-4H2,1-2H3
InChIKeyZAAHPQFUYODCDN-UHFFFAOYSA-N
MW204.68 g/mol
LogP3.24
Rot. Bonds4

About chloro-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane

chloro-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 11095737) has the molecular formula C4H10ClOPS2 and a molecular weight of 204.68 g/mol. Its IUPAC name is chloro-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namechloro-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane
PubChem CID11095737
Molecular FormulaC4H10ClOPS2
Molecular Weight204.68 g/mol
Exact Mass203.96
IUPAC Namechloro-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCSP(=S)(Cl)OC
InChIInChI=1S/C4H10ClOPS2/c1-3-4-9-7(5,8)6-2/h3-4H2,1-2H3
InChIKeyZAAHPQFUYODCDN-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze chloro-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chloro-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of chloro-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane (CID 11095737) is chloro-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for chloro-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for chloro-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane is CCCSP(=S)(Cl)OC.
What is the InChIKey of chloro-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is ZAAHPQFUYODCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClOPS2/c1-3-4-9-7(5,8)6-2/h3-4H2,1-2H3.
What are the key properties of chloro-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane?
chloro-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 204.68 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 11095737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).