[(R)-[(1R)-1-bromoethyl]sulfinyl]benzene

C8H9BrOS — CID 16720775

IUPAC[(R)-[(1R)-1-bromoethyl]sulfinyl]benzene
SMILESC[C@@H](Br)[S@](=O)c1ccccc1
InChIInChI=1S/C8H9BrOS/c1-7(9)11(10)8-5-3-2-4-6-8/h2-7H,1H3/t7-,11-/m0/s1
InChIKeyRWWLZQMVOFBBRG-CPCISQLKSA-N
MW233.13 g/mol
LogP2.54
Rot. Bonds2

About [(R)-[(1R)-1-bromoethyl]sulfinyl]benzene

[(R)-[(1R)-1-bromoethyl]sulfinyl]benzene (PubChem CID 16720775) has the molecular formula C8H9BrOS and a molecular weight of 233.13 g/mol. Its IUPAC name is [(R)-[(1R)-1-bromoethyl]sulfinyl]benzene.

Molecular Properties

Compound Name[(R)-[(1R)-1-bromoethyl]sulfinyl]benzene
PubChem CID16720775
Molecular FormulaC8H9BrOS
Molecular Weight233.13 g/mol
Exact Mass231.96
IUPAC Name[(R)-[(1R)-1-bromoethyl]sulfinyl]benzene
SMILESC[C@@H](Br)[S@](=O)c1ccccc1
InChIInChI=1S/C8H9BrOS/c1-7(9)11(10)8-5-3-2-4-6-8/h2-7H,1H3/t7-,11-/m0/s1
InChIKeyRWWLZQMVOFBBRG-CPCISQLKSA-N
XLogP2.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.13
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(R)-[(1R)-1-bromoethyl]sulfinyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(benzenesulfinyl)propanoic acid
CID 100915860
1-bromo-4-[(1R)-1-[(S)-phenylsulfinyl]ethyl]benzene
CID 16720872
2-(benzenesulfinyl)-3-methylbutanoic acid
CID 61304717
3-(benzenesulfinyl)-N-methylbutan-2-amine
CID 64657472
3-(benzenesulfinyl)butan-1-amine
CID 81328702
1-fluorobutylsulfinylbenzene
CID 10954577
(1R,4R)-4-(benzenesulfinyl)-1-phenylpent-2-en-1-ol
CID 177470262
1-[(1R)-1-(benzenesulfinyl)ethyl]-4-(trifluoromethyl)benzene
CID 102320768
cumene;methylsulfinylbenzene
CID 143291926
CID 175810249
CID 175810249
2-(benzenesulfinyl)-1,2-diphenylethanone
CID 11131014
[(2R)-2,3,3-trimethyl-1-phenylselanylbutyl]sulfinylbenzene
CID 15807298

Frequently Asked Questions

What is the IUPAC name of [(R)-[(1R)-1-bromoethyl]sulfinyl]benzene?
The IUPAC name of [(R)-[(1R)-1-bromoethyl]sulfinyl]benzene (CID 16720775) is [(R)-[(1R)-1-bromoethyl]sulfinyl]benzene.
What is the SMILES notation for [(R)-[(1R)-1-bromoethyl]sulfinyl]benzene?
The canonical SMILES for [(R)-[(1R)-1-bromoethyl]sulfinyl]benzene is C[C@@H](Br)[S@](=O)c1ccccc1.
What is the InChIKey of [(R)-[(1R)-1-bromoethyl]sulfinyl]benzene?
The InChIKey is RWWLZQMVOFBBRG-CPCISQLKSA-N. The full InChI is InChI=1S/C8H9BrOS/c1-7(9)11(10)8-5-3-2-4-6-8/h2-7H,1H3/t7-,11-/m0/s1.
What are the key properties of [(R)-[(1R)-1-bromoethyl]sulfinyl]benzene?
[(R)-[(1R)-1-bromoethyl]sulfinyl]benzene has a molecular weight of 233.13 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-[(1R)-1-bromoethyl]sulfinyl]benzene is sourced from PubChem (CID 16720775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).