2,2-dichloroethoxymethyl thiohypochlorite

C3H5Cl3OS — CID 71412785

IUPAC2,2-dichloroethoxymethyl thiohypochlorite
SMILESClSCOCC(Cl)Cl
InChIInChI=1S/C3H5Cl3OS/c4-3(5)1-7-2-8-6/h3H,1-2H2
InChIKeyCUOKLVZQXCNKCO-UHFFFAOYSA-N
MW195.50 g/mol
LogP2.65
Rot. Bonds4

About 2,2-dichloroethoxymethyl thiohypochlorite

2,2-dichloroethoxymethyl thiohypochlorite (PubChem CID 71412785) has the molecular formula C3H5Cl3OS and a molecular weight of 195.50 g/mol. Its IUPAC name is 2,2-dichloroethoxymethyl thiohypochlorite.

Molecular Properties

Compound Name2,2-dichloroethoxymethyl thiohypochlorite
PubChem CID71412785
Molecular FormulaC3H5Cl3OS
Molecular Weight195.50 g/mol
Exact Mass193.91
IUPAC Name2,2-dichloroethoxymethyl thiohypochlorite
SMILESClSCOCC(Cl)Cl
InChIInChI=1S/C3H5Cl3OS/c4-3(5)1-7-2-8-6/h3H,1-2H2
InChIKeyCUOKLVZQXCNKCO-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.50
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloroethoxymethyl thiohypochlorite?
The IUPAC name of 2,2-dichloroethoxymethyl thiohypochlorite (CID 71412785) is 2,2-dichloroethoxymethyl thiohypochlorite.
What is the SMILES notation for 2,2-dichloroethoxymethyl thiohypochlorite?
The canonical SMILES for 2,2-dichloroethoxymethyl thiohypochlorite is ClSCOCC(Cl)Cl.
What is the InChIKey of 2,2-dichloroethoxymethyl thiohypochlorite?
The InChIKey is CUOKLVZQXCNKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl3OS/c4-3(5)1-7-2-8-6/h3H,1-2H2.
What are the key properties of 2,2-dichloroethoxymethyl thiohypochlorite?
2,2-dichloroethoxymethyl thiohypochlorite has a molecular weight of 195.50 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloroethoxymethyl thiohypochlorite is sourced from PubChem (CID 71412785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).