2-cyclopropylethyl-diethoxy-sulfanylidene-λ5-phosphane

C9H19O2PS — CID 53392049

IUPAC2-cyclopropylethyl-diethoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(CCC1CC1)OCC
InChIInChI=1S/C9H19O2PS/c1-3-10-12(13,11-4-2)8-7-9-5-6-9/h9H,3-8H2,1-2H3
InChIKeyKKVZGUZKYYGQQL-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.17
Rot. Bonds7

About 2-cyclopropylethyl-diethoxy-sulfanylidene-λ5-phosphane

2-cyclopropylethyl-diethoxy-sulfanylidene-λ5-phosphane (PubChem CID 53392049) has the molecular formula C9H19O2PS and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-cyclopropylethyl-diethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name2-cyclopropylethyl-diethoxy-sulfanylidene-λ5-phosphane
PubChem CID53392049
Molecular FormulaC9H19O2PS
Molecular Weight222.29 g/mol
Exact Mass222.08
IUPAC Name2-cyclopropylethyl-diethoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(CCC1CC1)OCC
InChIInChI=1S/C9H19O2PS/c1-3-10-12(13,11-4-2)8-7-9-5-6-9/h9H,3-8H2,1-2H3
InChIKeyKKVZGUZKYYGQQL-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.17
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 2-cyclopropylethyl-diethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of 2-cyclopropylethyl-diethoxy-sulfanylidene-λ5-phosphane (CID 53392049) is 2-cyclopropylethyl-diethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for 2-cyclopropylethyl-diethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for 2-cyclopropylethyl-diethoxy-sulfanylidene-λ5-phosphane is CCOP(=S)(CCC1CC1)OCC.
What is the InChIKey of 2-cyclopropylethyl-diethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is KKVZGUZKYYGQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O2PS/c1-3-10-12(13,11-4-2)8-7-9-5-6-9/h9H,3-8H2,1-2H3.
What are the key properties of 2-cyclopropylethyl-diethoxy-sulfanylidene-λ5-phosphane?
2-cyclopropylethyl-diethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 222.29 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl-diethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 53392049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).