benzenesulfonyl bromide;dichloromethyl thiohypochlorite

C7H6BrCl3O2S2 — CID 88843068

IUPACbenzenesulfonyl bromide;dichloromethyl thiohypochlorite
SMILESClSC(Cl)Cl.O=S(=O)(Br)c1ccccc1
InChIInChI=1S/C6H5BrO2S.CHCl3S/c7-10(8,9)6-4-2-1-3-5-6;2-1(3)5-4/h1-5H;1H
InChIKeyURCGJVKYXJKBDT-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.40
Rot. Bonds2

About benzenesulfonyl bromide;dichloromethyl thiohypochlorite

benzenesulfonyl bromide;dichloromethyl thiohypochlorite (PubChem CID 88843068) has the molecular formula C7H6BrCl3O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is benzenesulfonyl bromide;dichloromethyl thiohypochlorite.

Molecular Properties

Compound Namebenzenesulfonyl bromide;dichloromethyl thiohypochlorite
PubChem CID88843068
Molecular FormulaC7H6BrCl3O2S2
Molecular Weight372.52 g/mol
Exact Mass369.81
IUPAC Namebenzenesulfonyl bromide;dichloromethyl thiohypochlorite
SMILESClSC(Cl)Cl.O=S(=O)(Br)c1ccccc1
InChIInChI=1S/C6H5BrO2S.CHCl3S/c7-10(8,9)6-4-2-1-3-5-6;2-1(3)5-4/h1-5H;1H
InChIKeyURCGJVKYXJKBDT-UHFFFAOYSA-N
XLogP4.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 benzenesulfonyl bromide;dichloromethyl thiohypochlorite?
The IUPAC name of benzenesulfonyl bromide;dichloromethyl thiohypochlorite (CID 88843068) is benzenesulfonyl bromide;dichloromethyl thiohypochlorite.
What is the SMILES notation for benzenesulfonyl bromide;dichloromethyl thiohypochlorite?
The canonical SMILES for benzenesulfonyl bromide;dichloromethyl thiohypochlorite is ClSC(Cl)Cl.O=S(=O)(Br)c1ccccc1.
What is the InChIKey of benzenesulfonyl bromide;dichloromethyl thiohypochlorite?
The InChIKey is URCGJVKYXJKBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrO2S.CHCl3S/c7-10(8,9)6-4-2-1-3-5-6;2-1(3)5-4/h1-5H;1H.
What are the key properties of benzenesulfonyl bromide;dichloromethyl thiohypochlorite?
benzenesulfonyl bromide;dichloromethyl thiohypochlorite has a molecular weight of 372.52 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonyl bromide;dichloromethyl thiohypochlorite is sourced from PubChem (CID 88843068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).