zinc 2-chloroethylsulfanyl-dioxido-sulfanylidene-λ5-phosphane

C2H4ClO2PS2Zn — CID 158230670

IUPACzinc 2-chloroethylsulfanyl-dioxido-sulfanylidene-λ5-phosphane
SMILES[O-]P([O-])(=S)SCCCl.[Zn+2]
InChIInChI=1S/C2H6ClO2PS2.Zn/c3-1-2-8-6(4,5)7;/h1-2H2,(H2,4,5,7);/q;+2/p-2
InChIKeyGEINWKUGBXDAKF-UHFFFAOYSA-L
MW256.00 g/mol
LogP-0.10
Rot. Bonds3

About zinc 2-chloroethylsulfanyl-dioxido-sulfanylidene-λ5-phosphane

zinc 2-chloroethylsulfanyl-dioxido-sulfanylidene-λ5-phosphane (PubChem CID 158230670) has the molecular formula C2H4ClO2PS2Zn and a molecular weight of 256.00 g/mol. Its IUPAC name is zinc 2-chloroethylsulfanyl-dioxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namezinc 2-chloroethylsulfanyl-dioxido-sulfanylidene-λ5-phosphane
PubChem CID158230670
Molecular FormulaC2H4ClO2PS2Zn
Molecular Weight256.00 g/mol
Exact Mass253.84
IUPAC Namezinc 2-chloroethylsulfanyl-dioxido-sulfanylidene-λ5-phosphane
SMILES[O-]P([O-])(=S)SCCCl.[Zn+2]
InChIInChI=1S/C2H6ClO2PS2.Zn/c3-1-2-8-6(4,5)7;/h1-2H2,(H2,4,5,7);/q;+2/p-2
InChIKeyGEINWKUGBXDAKF-UHFFFAOYSA-L
XLogP-0.10
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.00
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze zinc 2-chloroethylsulfanyl-dioxido-sulfanylidene-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

copper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane
CID 141062183
bis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+)
CID 162208219
zinc S-dioxidophosphinothioylthiohydroxylamine
CID 175337790
1-chloro-2-[2-chloroethylsulfanyl(methyl)phosphoryl]ethane
CID 11864584
3-chloropropylsulfanyl-diphenyl-sulfanylidene-lambda5-phosphane
CID 2321670
zinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane)
CID 162084405
antimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane)
CID 175173432
diazanium;2-chloroethyl-dioxido-oxo-λ5-phosphane
CID 168655255
bis(2-chloroethyl-dioxido-oxo-λ5-phosphane);zirconium(4+)
CID 88773242
copper 2-chloroethyl-dioxido-oxo-lambda5-phosphane
CID 13424002
potassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 88816879
butylsulfanyl-chloro-ethyl-sulfanylidene-lambda5-phosphane
CID 15055139

Frequently Asked Questions

What is the IUPAC name of zinc 2-chloroethylsulfanyl-dioxido-sulfanylidene-λ5-phosphane?
The IUPAC name of zinc 2-chloroethylsulfanyl-dioxido-sulfanylidene-λ5-phosphane (CID 158230670) is zinc 2-chloroethylsulfanyl-dioxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for zinc 2-chloroethylsulfanyl-dioxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for zinc 2-chloroethylsulfanyl-dioxido-sulfanylidene-λ5-phosphane is [O-]P([O-])(=S)SCCCl.[Zn+2].
What is the InChIKey of zinc 2-chloroethylsulfanyl-dioxido-sulfanylidene-λ5-phosphane?
The InChIKey is GEINWKUGBXDAKF-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H6ClO2PS2.Zn/c3-1-2-8-6(4,5)7;/h1-2H2,(H2,4,5,7);/q;+2/p-2.
What are the key properties of zinc 2-chloroethylsulfanyl-dioxido-sulfanylidene-λ5-phosphane?
zinc 2-chloroethylsulfanyl-dioxido-sulfanylidene-λ5-phosphane has a molecular weight of 256.00 g/mol, XLogP of -0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 2-chloroethylsulfanyl-dioxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 158230670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).