dichloro-(2-chlorophenoxy)-sulfanylidene-λ5-phosphane

C6H4Cl3OPS — CID 5223209

IUPACdichloro-(2-chlorophenoxy)-sulfanylidene-λ5-phosphane
SMILESS=P(Cl)(Cl)Oc1ccccc1Cl
InChIInChI=1S/C6H4Cl3OPS/c7-5-3-1-2-4-6(5)10-11(8,9)12/h1-4H
InChIKeyXAABCCJFMXULPX-UHFFFAOYSA-N
MW261.50 g/mol
LogP4.42
Rot. Bonds2

About dichloro-(2-chlorophenoxy)-sulfanylidene-λ5-phosphane

dichloro-(2-chlorophenoxy)-sulfanylidene-λ5-phosphane (PubChem CID 5223209) has the molecular formula C6H4Cl3OPS and a molecular weight of 261.50 g/mol. Its IUPAC name is dichloro-(2-chlorophenoxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedichloro-(2-chlorophenoxy)-sulfanylidene-λ5-phosphane
PubChem CID5223209
Molecular FormulaC6H4Cl3OPS
Molecular Weight261.50 g/mol
Exact Mass259.88
IUPAC Namedichloro-(2-chlorophenoxy)-sulfanylidene-λ5-phosphane
SMILESS=P(Cl)(Cl)Oc1ccccc1Cl
InChIInChI=1S/C6H4Cl3OPS/c7-5-3-1-2-4-6(5)10-11(8,9)12/h1-4H
InChIKeyXAABCCJFMXULPX-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.50
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro-(2-chlorophenoxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of dichloro-(2-chlorophenoxy)-sulfanylidene-λ5-phosphane (CID 5223209) is dichloro-(2-chlorophenoxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dichloro-(2-chlorophenoxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for dichloro-(2-chlorophenoxy)-sulfanylidene-λ5-phosphane is S=P(Cl)(Cl)Oc1ccccc1Cl.
What is the InChIKey of dichloro-(2-chlorophenoxy)-sulfanylidene-λ5-phosphane?
The InChIKey is XAABCCJFMXULPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl3OPS/c7-5-3-1-2-4-6(5)10-11(8,9)12/h1-4H.
What are the key properties of dichloro-(2-chlorophenoxy)-sulfanylidene-λ5-phosphane?
dichloro-(2-chlorophenoxy)-sulfanylidene-λ5-phosphane has a molecular weight of 261.50 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(2-chlorophenoxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 5223209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).