[4-(bromomethyl)phenyl] thiohypochlorite

C7H6BrClS — CID 19023327

IUPAC[4-(bromomethyl)phenyl] thiohypochlorite
SMILESClSc1ccc(CBr)cc1
InChIInChI=1S/C7H6BrClS/c8-5-6-1-3-7(10-9)4-2-6/h1-4H,5H2
InChIKeyOAVDHZQCFNAVLQ-UHFFFAOYSA-N
MW237.55 g/mol
LogP3.83
Rot. Bonds2

About [4-(bromomethyl)phenyl] thiohypochlorite

[4-(bromomethyl)phenyl] thiohypochlorite (PubChem CID 19023327) has the molecular formula C7H6BrClS and a molecular weight of 237.55 g/mol. Its IUPAC name is [4-(bromomethyl)phenyl] thiohypochlorite.

Molecular Properties

Compound Name[4-(bromomethyl)phenyl] thiohypochlorite
PubChem CID19023327
Molecular FormulaC7H6BrClS
Molecular Weight237.55 g/mol
Exact Mass235.91
IUPAC Name[4-(bromomethyl)phenyl] thiohypochlorite
SMILESClSc1ccc(CBr)cc1
InChIInChI=1S/C7H6BrClS/c8-5-6-1-3-7(10-9)4-2-6/h1-4H,5H2
InChIKeyOAVDHZQCFNAVLQ-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.55
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-4-methylsulfanylbenzene
CID 11367930
(4-dodecylphenyl) thiohypochlorite
CID 71324332
1-(bromomethyl)-4-(dichloromethyl)benzene
CID 19010251
[4-(bromomethyl)phenyl]methanamine
CID 24721042
CID 57470384
CID 57470384
1-bromo-4-(bromomethyl)benzene;hydrofluoride
CID 175432482
tris[4-(bromomethyl)phenyl]phosphane
CID 58675353
2-[[4-(bromomethyl)phenyl]sulfanylmethyl]naphthalene
CID 172559837
[4-(bromomethyl)phenyl]-triphenylphosphanium
CID 102127372
4-(bromomethyl)benzenesulfinate
CID 66676411
4-(bromomethyl)benzenesulfinyl chloride
CID 144881303
1-(bromomethyl)-4-[(1R,2S)-1,2-dibromo-2-[4-(bromomethyl)phenyl]ethyl]benzene
CID 98159586

Frequently Asked Questions

What is the IUPAC name of [4-(bromomethyl)phenyl] thiohypochlorite?
The IUPAC name of [4-(bromomethyl)phenyl] thiohypochlorite (CID 19023327) is [4-(bromomethyl)phenyl] thiohypochlorite.
What is the SMILES notation for [4-(bromomethyl)phenyl] thiohypochlorite?
The canonical SMILES for [4-(bromomethyl)phenyl] thiohypochlorite is ClSc1ccc(CBr)cc1.
What is the InChIKey of [4-(bromomethyl)phenyl] thiohypochlorite?
The InChIKey is OAVDHZQCFNAVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClS/c8-5-6-1-3-7(10-9)4-2-6/h1-4H,5H2.
What are the key properties of [4-(bromomethyl)phenyl] thiohypochlorite?
[4-(bromomethyl)phenyl] thiohypochlorite has a molecular weight of 237.55 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(bromomethyl)phenyl] thiohypochlorite is sourced from PubChem (CID 19023327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).