bis(4-chlorophenyl)-pentan-3-yl-sulfanylidene-λ5-phosphane

C17H19Cl2PS — CID 164673015

IUPACbis(4-chlorophenyl)-pentan-3-yl-sulfanylidene-λ5-phosphane
SMILESCCC(CC)P(=S)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2PS/c1-3-15(4-2)20(21,16-9-5-13(18)6-10-16)17-11-7-14(19)8-12-17/h5-12,15H,3-4H2,1-2H3
InChIKeyBDDMZWHMYGVZJY-UHFFFAOYSA-N
MW357.29 g/mol
LogP5.61
Rot. Bonds5

About bis(4-chlorophenyl)-pentan-3-yl-sulfanylidene-λ5-phosphane

bis(4-chlorophenyl)-pentan-3-yl-sulfanylidene-λ5-phosphane (PubChem CID 164673015) has the molecular formula C17H19Cl2PS and a molecular weight of 357.29 g/mol. Its IUPAC name is bis(4-chlorophenyl)-pentan-3-yl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebis(4-chlorophenyl)-pentan-3-yl-sulfanylidene-λ5-phosphane
PubChem CID164673015
Molecular FormulaC17H19Cl2PS
Molecular Weight357.29 g/mol
Exact Mass356.03
IUPAC Namebis(4-chlorophenyl)-pentan-3-yl-sulfanylidene-λ5-phosphane
SMILESCCC(CC)P(=S)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2PS/c1-3-15(4-2)20(21,16-9-5-13(18)6-10-16)17-11-7-14(19)8-12-17/h5-12,15H,3-4H2,1-2H3
InChIKeyBDDMZWHMYGVZJY-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.29
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-chlorophenyl)-pentan-3-yl-sulfanylidene-λ5-phosphane?
The IUPAC name of bis(4-chlorophenyl)-pentan-3-yl-sulfanylidene-λ5-phosphane (CID 164673015) is bis(4-chlorophenyl)-pentan-3-yl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bis(4-chlorophenyl)-pentan-3-yl-sulfanylidene-λ5-phosphane?
The canonical SMILES for bis(4-chlorophenyl)-pentan-3-yl-sulfanylidene-λ5-phosphane is CCC(CC)P(=S)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of bis(4-chlorophenyl)-pentan-3-yl-sulfanylidene-λ5-phosphane?
The InChIKey is BDDMZWHMYGVZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2PS/c1-3-15(4-2)20(21,16-9-5-13(18)6-10-16)17-11-7-14(19)8-12-17/h5-12,15H,3-4H2,1-2H3.
What are the key properties of bis(4-chlorophenyl)-pentan-3-yl-sulfanylidene-λ5-phosphane?
bis(4-chlorophenyl)-pentan-3-yl-sulfanylidene-λ5-phosphane has a molecular weight of 357.29 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenyl)-pentan-3-yl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 164673015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).