2-chlorosulfanylethyl thiohypochlorite

C2H4Cl2S2 — CID 11816034

IUPAC2-chlorosulfanylethyl thiohypochlorite
SMILESClSCCSCl
InChIInChI=1S/C2H4Cl2S2/c3-5-1-2-6-4/h1-2H2
InChIKeyLWGRPXZKPVYNBS-UHFFFAOYSA-N
MW163.09 g/mol
LogP2.76
Rot. Bonds3

About 2-chlorosulfanylethyl thiohypochlorite

2-chlorosulfanylethyl thiohypochlorite (PubChem CID 11816034) has the molecular formula C2H4Cl2S2 and a molecular weight of 163.09 g/mol. Its IUPAC name is 2-chlorosulfanylethyl thiohypochlorite.

Molecular Properties

Compound Name2-chlorosulfanylethyl thiohypochlorite
PubChem CID11816034
Molecular FormulaC2H4Cl2S2
Molecular Weight163.09 g/mol
Exact Mass161.91
IUPAC Name2-chlorosulfanylethyl thiohypochlorite
SMILESClSCCSCl
InChIInChI=1S/C2H4Cl2S2/c3-5-1-2-6-4/h1-2H2
InChIKeyLWGRPXZKPVYNBS-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.09
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chlorosulfanylethyl thiohypochlorite?
The IUPAC name of 2-chlorosulfanylethyl thiohypochlorite (CID 11816034) is 2-chlorosulfanylethyl thiohypochlorite.
What is the SMILES notation for 2-chlorosulfanylethyl thiohypochlorite?
The canonical SMILES for 2-chlorosulfanylethyl thiohypochlorite is ClSCCSCl.
What is the InChIKey of 2-chlorosulfanylethyl thiohypochlorite?
The InChIKey is LWGRPXZKPVYNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl2S2/c3-5-1-2-6-4/h1-2H2.
What are the key properties of 2-chlorosulfanylethyl thiohypochlorite?
2-chlorosulfanylethyl thiohypochlorite has a molecular weight of 163.09 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorosulfanylethyl thiohypochlorite is sourced from PubChem (CID 11816034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).