chloro-ethoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane

C6H14ClO2PS — CID 12521098

IUPACchloro-ethoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(Cl)OCC(C)C
InChIInChI=1S/C6H14ClO2PS/c1-4-8-10(7,11)9-5-6(2)3/h6H,4-5H2,1-3H3
InChIKeyFAPZEQHFPCYMRR-UHFFFAOYSA-N
MW216.67 g/mol
LogP3.16
Rot. Bonds5

About chloro-ethoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane

chloro-ethoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane (PubChem CID 12521098) has the molecular formula C6H14ClO2PS and a molecular weight of 216.67 g/mol. Its IUPAC name is chloro-ethoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namechloro-ethoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane
PubChem CID12521098
Molecular FormulaC6H14ClO2PS
Molecular Weight216.67 g/mol
Exact Mass216.01
IUPAC Namechloro-ethoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(Cl)OCC(C)C
InChIInChI=1S/C6H14ClO2PS/c1-4-8-10(7,11)9-5-6(2)3/h6H,4-5H2,1-3H3
InChIKeyFAPZEQHFPCYMRR-UHFFFAOYSA-N
XLogP3.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 53.16
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-ethoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of chloro-ethoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane (CID 12521098) is chloro-ethoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for chloro-ethoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for chloro-ethoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane is CCOP(=S)(Cl)OCC(C)C.
What is the InChIKey of chloro-ethoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane?
The InChIKey is FAPZEQHFPCYMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClO2PS/c1-4-8-10(7,11)9-5-6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of chloro-ethoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane?
chloro-ethoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane has a molecular weight of 216.67 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-ethoxy-(2-methylpropoxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 12521098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).