dibutoxy-phenyl-sulfanylidene-lambda5-phosphane

C14H23O2PS — CID 10968132

IUPACdibutoxy-phenyl-sulfanylidene-lambda5-phosphane
SMILESCCCCOP(=S)(OCCCC)c1ccccc1
InChIInChI=1S/C14H23O2PS/c1-3-5-12-15-17(18,16-13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
InChIKeyHPVILJNISAVDOP-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.25
Rot. Bonds9

About dibutoxy-phenyl-sulfanylidene-lambda5-phosphane

dibutoxy-phenyl-sulfanylidene-lambda5-phosphane (PubChem CID 10968132) has the molecular formula C14H23O2PS and a molecular weight of 286.38 g/mol. Its IUPAC name is dibutoxy-phenyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namedibutoxy-phenyl-sulfanylidene-lambda5-phosphane
PubChem CID10968132
Molecular FormulaC14H23O2PS
Molecular Weight286.38 g/mol
Exact Mass286.12
IUPAC Namedibutoxy-phenyl-sulfanylidene-lambda5-phosphane
SMILESCCCCOP(=S)(OCCCC)c1ccccc1
InChIInChI=1S/C14H23O2PS/c1-3-5-12-15-17(18,16-13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
InChIKeyHPVILJNISAVDOP-UHFFFAOYSA-N
XLogP4.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibutoxy-phenyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of dibutoxy-phenyl-sulfanylidene-lambda5-phosphane (CID 10968132) is dibutoxy-phenyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for dibutoxy-phenyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for dibutoxy-phenyl-sulfanylidene-lambda5-phosphane is CCCCOP(=S)(OCCCC)c1ccccc1.
What is the InChIKey of dibutoxy-phenyl-sulfanylidene-lambda5-phosphane?
The InChIKey is HPVILJNISAVDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O2PS/c1-3-5-12-15-17(18,16-13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3.
What are the key properties of dibutoxy-phenyl-sulfanylidene-lambda5-phosphane?
dibutoxy-phenyl-sulfanylidene-lambda5-phosphane has a molecular weight of 286.38 g/mol, XLogP of 4.25, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-phenyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 10968132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).