chloro-diethoxy-sulfanylidene-lambda5-phosphane

C4H10ClO2PS — CID 17305

IUPACchloro-diethoxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(Cl)OCC
InChIInChI=1S/C4H10ClO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3
InChIKeyKMJJJTCKNZYTEY-UHFFFAOYSA-N
MW188.62 g/mol
LogP2.52
Rot. Bonds4

About chloro-diethoxy-sulfanylidene-lambda5-phosphane

chloro-diethoxy-sulfanylidene-lambda5-phosphane (PubChem CID 17305) has the molecular formula C4H10ClO2PS and a molecular weight of 188.62 g/mol. Its IUPAC name is chloro-diethoxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namechloro-diethoxy-sulfanylidene-lambda5-phosphane
PubChem CID17305
Molecular FormulaC4H10ClO2PS
Molecular Weight188.62 g/mol
Exact Mass187.98
IUPAC Namechloro-diethoxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(Cl)OCC
InChIInChI=1S/C4H10ClO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3
InChIKeyKMJJJTCKNZYTEY-UHFFFAOYSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.62
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-diethoxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of chloro-diethoxy-sulfanylidene-lambda5-phosphane (CID 17305) is chloro-diethoxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for chloro-diethoxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for chloro-diethoxy-sulfanylidene-lambda5-phosphane is CCOP(=S)(Cl)OCC.
What is the InChIKey of chloro-diethoxy-sulfanylidene-lambda5-phosphane?
The InChIKey is KMJJJTCKNZYTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3.
What are the key properties of chloro-diethoxy-sulfanylidene-lambda5-phosphane?
chloro-diethoxy-sulfanylidene-lambda5-phosphane has a molecular weight of 188.62 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-diethoxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 17305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).