chloro-(chloromethyl)-phenoxy-sulfanylidene-lambda5-phosphane

C7H7Cl2OPS — CID 14812628

IUPACchloro-(chloromethyl)-phenoxy-sulfanylidene-lambda5-phosphane
SMILESS=P(Cl)(CCl)Oc1ccccc1
InChIInChI=1S/C7H7Cl2OPS/c8-6-11(9,12)10-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyRTEKTIVFKPGDGM-UHFFFAOYSA-N
MW241.08 g/mol
LogP3.81
Rot. Bonds3

About chloro-(chloromethyl)-phenoxy-sulfanylidene-lambda5-phosphane

chloro-(chloromethyl)-phenoxy-sulfanylidene-lambda5-phosphane (PubChem CID 14812628) has the molecular formula C7H7Cl2OPS and a molecular weight of 241.08 g/mol. Its IUPAC name is chloro-(chloromethyl)-phenoxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namechloro-(chloromethyl)-phenoxy-sulfanylidene-lambda5-phosphane
PubChem CID14812628
Molecular FormulaC7H7Cl2OPS
Molecular Weight241.08 g/mol
Exact Mass239.93
IUPAC Namechloro-(chloromethyl)-phenoxy-sulfanylidene-lambda5-phosphane
SMILESS=P(Cl)(CCl)Oc1ccccc1
InChIInChI=1S/C7H7Cl2OPS/c8-6-11(9,12)10-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyRTEKTIVFKPGDGM-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 chloro-(chloromethyl)-phenoxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of chloro-(chloromethyl)-phenoxy-sulfanylidene-lambda5-phosphane (CID 14812628) is chloro-(chloromethyl)-phenoxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for chloro-(chloromethyl)-phenoxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for chloro-(chloromethyl)-phenoxy-sulfanylidene-lambda5-phosphane is S=P(Cl)(CCl)Oc1ccccc1.
What is the InChIKey of chloro-(chloromethyl)-phenoxy-sulfanylidene-lambda5-phosphane?
The InChIKey is RTEKTIVFKPGDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2OPS/c8-6-11(9,12)10-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of chloro-(chloromethyl)-phenoxy-sulfanylidene-lambda5-phosphane?
chloro-(chloromethyl)-phenoxy-sulfanylidene-lambda5-phosphane has a molecular weight of 241.08 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(chloromethyl)-phenoxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 14812628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).