(3-bromophenyl)sulfanyl hypochlorite

C6H4BrClOS — CID 145473224

IUPAC(3-bromophenyl)sulfanyl hypochlorite
SMILESClOSc1cccc(Br)c1
InChIInChI=1S/C6H4BrClOS/c7-5-2-1-3-6(4-5)10-9-8/h1-4H
InChIKeyKYJHOBIAFYMVLC-UHFFFAOYSA-N
MW239.52 g/mol
LogP3.63
Rot. Bonds2

About (3-bromophenyl)sulfanyl hypochlorite

(3-bromophenyl)sulfanyl hypochlorite (PubChem CID 145473224) has the molecular formula C6H4BrClOS and a molecular weight of 239.52 g/mol. Its IUPAC name is (3-bromophenyl)sulfanyl hypochlorite.

Molecular Properties

Compound Name(3-bromophenyl)sulfanyl hypochlorite
PubChem CID145473224
Molecular FormulaC6H4BrClOS
Molecular Weight239.52 g/mol
Exact Mass237.89
IUPAC Name(3-bromophenyl)sulfanyl hypochlorite
SMILESClOSc1cccc(Br)c1
InChIInChI=1S/C6H4BrClOS/c7-5-2-1-3-6(4-5)10-9-8/h1-4H
InChIKeyKYJHOBIAFYMVLC-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.52
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-methylsulfanylbenzene
CID 2735627
1-bromo-3-hydroxysulfanylbenzene
CID 142318531
1-(3-bromophenyl)sulfanyl-3,5-dichlorobenzene
CID 163695952
1,3-dibromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 54590075
S-(3-bromophenyl) ethanethioate
CID 71374837
CID 161372941
CID 161372941
2-(3-bromophenyl)sulfanylacetaldehyde
CID 54207493
1,3-dibromobenzene;1,4-dibromobenzene
CID 70555684
CID 154319240
CID 154319240
2-bromo-3-[(3-bromophenyl)sulfanylmethyl]aniline
CID 114048830
3-(3-bromophenyl)sulfanylpyrrolidine
CID 62803924
5-bromo-2-[(3-bromophenyl)sulfanylmethyl]-4,6-dichloropyrimidine
CID 66316000

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)sulfanyl hypochlorite?
The IUPAC name of (3-bromophenyl)sulfanyl hypochlorite (CID 145473224) is (3-bromophenyl)sulfanyl hypochlorite.
What is the SMILES notation for (3-bromophenyl)sulfanyl hypochlorite?
The canonical SMILES for (3-bromophenyl)sulfanyl hypochlorite is ClOSc1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)sulfanyl hypochlorite?
The InChIKey is KYJHOBIAFYMVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClOS/c7-5-2-1-3-6(4-5)10-9-8/h1-4H.
What are the key properties of (3-bromophenyl)sulfanyl hypochlorite?
(3-bromophenyl)sulfanyl hypochlorite has a molecular weight of 239.52 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)sulfanyl hypochlorite is sourced from PubChem (CID 145473224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).