2,2-dichloroethoxy-hydroxy-prop-2-enyl-sulfanylidene-λ5-phosphane

C5H9Cl2O2PS — CID 88759755

IUPAC2,2-dichloroethoxy-hydroxy-prop-2-enyl-sulfanylidene-λ5-phosphane
SMILESC=CCP(O)(=S)OCC(Cl)Cl
InChIInChI=1S/C5H9Cl2O2PS/c1-2-3-10(8,11)9-4-5(6)7/h2,5H,1,3-4H2,(H,8,11)
InChIKeyZCSSKPITCCPVJA-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.29
Rot. Bonds5

About 2,2-dichloroethoxy-hydroxy-prop-2-enyl-sulfanylidene-λ5-phosphane

2,2-dichloroethoxy-hydroxy-prop-2-enyl-sulfanylidene-λ5-phosphane (PubChem CID 88759755) has the molecular formula C5H9Cl2O2PS and a molecular weight of 235.07 g/mol. Its IUPAC name is 2,2-dichloroethoxy-hydroxy-prop-2-enyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name2,2-dichloroethoxy-hydroxy-prop-2-enyl-sulfanylidene-λ5-phosphane
PubChem CID88759755
Molecular FormulaC5H9Cl2O2PS
Molecular Weight235.07 g/mol
Exact Mass233.94
IUPAC Name2,2-dichloroethoxy-hydroxy-prop-2-enyl-sulfanylidene-λ5-phosphane
SMILESC=CCP(O)(=S)OCC(Cl)Cl
InChIInChI=1S/C5H9Cl2O2PS/c1-2-3-10(8,11)9-4-5(6)7/h2,5H,1,3-4H2,(H,8,11)
InChIKeyZCSSKPITCCPVJA-UHFFFAOYSA-N
XLogP2.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloroethoxy-hydroxy-prop-2-enyl-sulfanylidene-λ5-phosphane?
The IUPAC name of 2,2-dichloroethoxy-hydroxy-prop-2-enyl-sulfanylidene-λ5-phosphane (CID 88759755) is 2,2-dichloroethoxy-hydroxy-prop-2-enyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for 2,2-dichloroethoxy-hydroxy-prop-2-enyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for 2,2-dichloroethoxy-hydroxy-prop-2-enyl-sulfanylidene-λ5-phosphane is C=CCP(O)(=S)OCC(Cl)Cl.
What is the InChIKey of 2,2-dichloroethoxy-hydroxy-prop-2-enyl-sulfanylidene-λ5-phosphane?
The InChIKey is ZCSSKPITCCPVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl2O2PS/c1-2-3-10(8,11)9-4-5(6)7/h2,5H,1,3-4H2,(H,8,11).
What are the key properties of 2,2-dichloroethoxy-hydroxy-prop-2-enyl-sulfanylidene-λ5-phosphane?
2,2-dichloroethoxy-hydroxy-prop-2-enyl-sulfanylidene-λ5-phosphane has a molecular weight of 235.07 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloroethoxy-hydroxy-prop-2-enyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 88759755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).