(1,2-dibromo-1,2-dichloroethyl) thiohypochlorite

C2HBr2Cl3S — CID 20519677

IUPAC(1,2-dibromo-1,2-dichloroethyl) thiohypochlorite
SMILESClSC(Cl)(Br)C(Cl)Br
InChIInChI=1S/C2HBr2Cl3S/c3-1(5)2(4,6)8-7/h1H
InChIKeyZCFAGZPXDJQDDP-UHFFFAOYSA-N
MW323.26 g/mol
LogP4.12
Rot. Bonds2

About (1,2-dibromo-1,2-dichloroethyl) thiohypochlorite

(1,2-dibromo-1,2-dichloroethyl) thiohypochlorite (PubChem CID 20519677) has the molecular formula C2HBr2Cl3S and a molecular weight of 323.26 g/mol. Its IUPAC name is (1,2-dibromo-1,2-dichloroethyl) thiohypochlorite.

Molecular Properties

Compound Name(1,2-dibromo-1,2-dichloroethyl) thiohypochlorite
PubChem CID20519677
Molecular FormulaC2HBr2Cl3S
Molecular Weight323.26 g/mol
Exact Mass319.72
IUPAC Name(1,2-dibromo-1,2-dichloroethyl) thiohypochlorite
SMILESClSC(Cl)(Br)C(Cl)Br
InChIInChI=1S/C2HBr2Cl3S/c3-1(5)2(4,6)8-7/h1H
InChIKeyZCFAGZPXDJQDDP-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,2-dibromo-1,2-dichloroethyl) thiohypochlorite?
The IUPAC name of (1,2-dibromo-1,2-dichloroethyl) thiohypochlorite (CID 20519677) is (1,2-dibromo-1,2-dichloroethyl) thiohypochlorite.
What is the SMILES notation for (1,2-dibromo-1,2-dichloroethyl) thiohypochlorite?
The canonical SMILES for (1,2-dibromo-1,2-dichloroethyl) thiohypochlorite is ClSC(Cl)(Br)C(Cl)Br.
What is the InChIKey of (1,2-dibromo-1,2-dichloroethyl) thiohypochlorite?
The InChIKey is ZCFAGZPXDJQDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HBr2Cl3S/c3-1(5)2(4,6)8-7/h1H.
What are the key properties of (1,2-dibromo-1,2-dichloroethyl) thiohypochlorite?
(1,2-dibromo-1,2-dichloroethyl) thiohypochlorite has a molecular weight of 323.26 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dibromo-1,2-dichloroethyl) thiohypochlorite is sourced from PubChem (CID 20519677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).