3-chloropropylsulfanyl-diphenyl-sulfanylidene-lambda5-phosphane

C15H16ClPS2 — CID 2321670

IUPAC3-chloropropylsulfanyl-diphenyl-sulfanylidene-lambda5-phosphane
SMILESS=P(SCCCCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16ClPS2/c16-12-7-13-19-17(18,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyDMOVBWKZUCAVFF-UHFFFAOYSA-N
MW326.85 g/mol
LogP4.39
Rot. Bonds6

About 3-chloropropylsulfanyl-diphenyl-sulfanylidene-lambda5-phosphane

3-chloropropylsulfanyl-diphenyl-sulfanylidene-lambda5-phosphane (PubChem CID 2321670) has the molecular formula C15H16ClPS2 and a molecular weight of 326.85 g/mol. Its IUPAC name is 3-chloropropylsulfanyl-diphenyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Name3-chloropropylsulfanyl-diphenyl-sulfanylidene-lambda5-phosphane
PubChem CID2321670
Molecular FormulaC15H16ClPS2
Molecular Weight326.85 g/mol
Exact Mass326.01
IUPAC Name3-chloropropylsulfanyl-diphenyl-sulfanylidene-lambda5-phosphane
SMILESS=P(SCCCCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16ClPS2/c16-12-7-13-19-17(18,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyDMOVBWKZUCAVFF-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloropropylsulfanyl-diphenyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of 3-chloropropylsulfanyl-diphenyl-sulfanylidene-lambda5-phosphane (CID 2321670) is 3-chloropropylsulfanyl-diphenyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for 3-chloropropylsulfanyl-diphenyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for 3-chloropropylsulfanyl-diphenyl-sulfanylidene-lambda5-phosphane is S=P(SCCCCl)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-chloropropylsulfanyl-diphenyl-sulfanylidene-lambda5-phosphane?
The InChIKey is DMOVBWKZUCAVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClPS2/c16-12-7-13-19-17(18,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2.
What are the key properties of 3-chloropropylsulfanyl-diphenyl-sulfanylidene-lambda5-phosphane?
3-chloropropylsulfanyl-diphenyl-sulfanylidene-lambda5-phosphane has a molecular weight of 326.85 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropylsulfanyl-diphenyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 2321670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).