chloromethyl-diphenyl-sulfanylidene-λ5-phosphane

C13H12ClPS — CID 161049975

IUPACchloromethyl-diphenyl-sulfanylidene-λ5-phosphane
SMILESS=P(CCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12ClPS/c14-11-15(16,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyQHIFCICDXAUHCV-UHFFFAOYSA-N
MW266.73 g/mol
LogP3.31
Rot. Bonds3

About chloromethyl-diphenyl-sulfanylidene-λ5-phosphane

chloromethyl-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 161049975) has the molecular formula C13H12ClPS and a molecular weight of 266.73 g/mol. Its IUPAC name is chloromethyl-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namechloromethyl-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID161049975
Molecular FormulaC13H12ClPS
Molecular Weight266.73 g/mol
Exact Mass266.01
IUPAC Namechloromethyl-diphenyl-sulfanylidene-λ5-phosphane
SMILESS=P(CCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12ClPS/c14-11-15(16,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyQHIFCICDXAUHCV-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(chloromethyl)-phenyl-sulfanylidene-λ5-phosphane
CID 23415957
2,2-diphenylethyl-diphenyl-sulfanylidene-lambda5-phosphane
CID 10739652
2-diphenylphosphinothioylacetamide
CID 796912
bis(1,3-dichloropropan-2-yloxy)-phenyl-sulfanylidene-λ5-phosphane
CID 141440173
bromo-diphenyl-sulfanylidene-λ5-phosphane
CID 23415811
Diphenylselenothiophosphinic acid
CID 11243432
oxido-diphenyl-sulfanylidene-λ5-phosphane
CID 3382215
3-chloropropylsulfanyl-diphenyl-sulfanylidene-lambda5-phosphane
CID 2321670
4-diethylphosphinothioylbutyl-diphenyl-sulfanylidene-lambda5-phosphane
CID 13159128
chloro-(chloromethyl)-phenoxy-sulfanylidene-lambda5-phosphane
CID 14812628
5-chloro-2-diphenylphosphinothioylpentanenitrile
CID 100986442
hydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride
CID 172809471

Frequently Asked Questions

What is the IUPAC name of chloromethyl-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of chloromethyl-diphenyl-sulfanylidene-λ5-phosphane (CID 161049975) is chloromethyl-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for chloromethyl-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for chloromethyl-diphenyl-sulfanylidene-λ5-phosphane is S=P(CCl)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloromethyl-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is QHIFCICDXAUHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClPS/c14-11-15(16,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of chloromethyl-diphenyl-sulfanylidene-λ5-phosphane?
chloromethyl-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 266.73 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 161049975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).