4-(bromomethyl)benzenesulfinyl chloride

C7H6BrClOS — CID 144881303

IUPAC4-(bromomethyl)benzenesulfinyl chloride
SMILESO=S(Cl)c1ccc(CBr)cc1
InChIInChI=1S/C7H6BrClOS/c8-5-6-1-3-7(4-2-6)11(9)10/h1-4H,5H2
InChIKeyFGFUHHFQVZAQJM-UHFFFAOYSA-N
MW253.55 g/mol
LogP2.84
Rot. Bonds2

About 4-(bromomethyl)benzenesulfinyl chloride

4-(bromomethyl)benzenesulfinyl chloride (PubChem CID 144881303) has the molecular formula C7H6BrClOS and a molecular weight of 253.55 g/mol. Its IUPAC name is 4-(bromomethyl)benzenesulfinyl chloride.

Molecular Properties

Compound Name4-(bromomethyl)benzenesulfinyl chloride
PubChem CID144881303
Molecular FormulaC7H6BrClOS
Molecular Weight253.55 g/mol
Exact Mass251.90
IUPAC Name4-(bromomethyl)benzenesulfinyl chloride
SMILESO=S(Cl)c1ccc(CBr)cc1
InChIInChI=1S/C7H6BrClOS/c8-5-6-1-3-7(4-2-6)11(9)10/h1-4H,5H2
InChIKeyFGFUHHFQVZAQJM-UHFFFAOYSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.55
LogP ≤ 52.84
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

4-(bromomethyl)benzenesulfinate
CID 66676411
4-(bromomethyl)benzenesulfinic acid
CID 66676412
4-(bromomethyl)benzoic acid;4-(bromomethyl)benzoyl chloride;thionyl dichloride
CID 159319384
4-fluorobenzenesulfinyl chloride
CID 12669616
[4-(bromomethyl)phenyl] thiohypochlorite
CID 19023327
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
[4-(bromomethyl)phenyl]-dimethyl-sulfinoazanium
CID 69457215
4-(4-tert-butylphenyl)benzenesulfinyl chloride
CID 145112822
4-(bromomethyl)-1,2-dichlorobenzene;zinc
CID 67230004

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)benzenesulfinyl chloride?
The IUPAC name of 4-(bromomethyl)benzenesulfinyl chloride (CID 144881303) is 4-(bromomethyl)benzenesulfinyl chloride.
What is the SMILES notation for 4-(bromomethyl)benzenesulfinyl chloride?
The canonical SMILES for 4-(bromomethyl)benzenesulfinyl chloride is O=S(Cl)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)benzenesulfinyl chloride?
The InChIKey is FGFUHHFQVZAQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClOS/c8-5-6-1-3-7(4-2-6)11(9)10/h1-4H,5H2.
What are the key properties of 4-(bromomethyl)benzenesulfinyl chloride?
4-(bromomethyl)benzenesulfinyl chloride has a molecular weight of 253.55 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)benzenesulfinyl chloride is sourced from PubChem (CID 144881303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).