bis(chloromethyl)-phenyl-sulfanylidene-λ5-phosphane

C8H9Cl2PS — CID 23415957

IUPACbis(chloromethyl)-phenyl-sulfanylidene-λ5-phosphane
SMILESS=P(CCl)(CCl)c1ccccc1
InChIInChI=1S/C8H9Cl2PS/c9-6-11(12,7-10)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyKCQODBCOLXYSPF-UHFFFAOYSA-N
MW239.11 g/mol
LogP3.18
Rot. Bonds3

About bis(chloromethyl)-phenyl-sulfanylidene-λ5-phosphane

bis(chloromethyl)-phenyl-sulfanylidene-λ5-phosphane (PubChem CID 23415957) has the molecular formula C8H9Cl2PS and a molecular weight of 239.11 g/mol. Its IUPAC name is bis(chloromethyl)-phenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebis(chloromethyl)-phenyl-sulfanylidene-λ5-phosphane
PubChem CID23415957
Molecular FormulaC8H9Cl2PS
Molecular Weight239.11 g/mol
Exact Mass237.95
IUPAC Namebis(chloromethyl)-phenyl-sulfanylidene-λ5-phosphane
SMILESS=P(CCl)(CCl)c1ccccc1
InChIInChI=1S/C8H9Cl2PS/c9-6-11(12,7-10)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyKCQODBCOLXYSPF-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 53.18
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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Frequently Asked Questions

What is the IUPAC name of bis(chloromethyl)-phenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of bis(chloromethyl)-phenyl-sulfanylidene-λ5-phosphane (CID 23415957) is bis(chloromethyl)-phenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bis(chloromethyl)-phenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for bis(chloromethyl)-phenyl-sulfanylidene-λ5-phosphane is S=P(CCl)(CCl)c1ccccc1.
What is the InChIKey of bis(chloromethyl)-phenyl-sulfanylidene-λ5-phosphane?
The InChIKey is KCQODBCOLXYSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2PS/c9-6-11(12,7-10)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of bis(chloromethyl)-phenyl-sulfanylidene-λ5-phosphane?
bis(chloromethyl)-phenyl-sulfanylidene-λ5-phosphane has a molecular weight of 239.11 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chloromethyl)-phenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23415957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).