1-bromo-2-(1-phenylethylsulfinyl)benzene

C14H13BrOS — CID 75512158

IUPAC1-bromo-2-(1-phenylethylsulfinyl)benzene
SMILESCC(c1ccccc1)S(=O)c1ccccc1Br
InChIInChI=1S/C14H13BrOS/c1-11(12-7-3-2-4-8-12)17(16)14-10-6-5-9-13(14)15/h2-11H,1H3
InChIKeyRCZCCBJFGUBTNS-UHFFFAOYSA-N
MW309.23 g/mol
LogP4.32
Rot. Bonds3

About 1-bromo-2-(1-phenylethylsulfinyl)benzene

1-bromo-2-(1-phenylethylsulfinyl)benzene (PubChem CID 75512158) has the molecular formula C14H13BrOS and a molecular weight of 309.23 g/mol. Its IUPAC name is 1-bromo-2-(1-phenylethylsulfinyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(1-phenylethylsulfinyl)benzene
PubChem CID75512158
Molecular FormulaC14H13BrOS
Molecular Weight309.23 g/mol
Exact Mass307.99
IUPAC Name1-bromo-2-(1-phenylethylsulfinyl)benzene
SMILESCC(c1ccccc1)S(=O)c1ccccc1Br
InChIInChI=1S/C14H13BrOS/c1-11(12-7-3-2-4-8-12)17(16)14-10-6-5-9-13(14)15/h2-11H,1H3
InChIKeyRCZCCBJFGUBTNS-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 64653527
1-bromo-4-[(1R)-1-[(S)-phenylsulfinyl]ethyl]benzene
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3-(2-bromophenyl)sulfinylbutan-1-amine
CID 81329150
[(1R)-1-methylsulfinylethyl]benzene
CID 15685613
3-methyl-4-(1-phenylethylsulfinyl)aniline
CID 81192599
2-[4-[(2-bromophenyl)sulfinylmethyl]phenyl]propanoic acid
CID 105346254
N-(2-aminophenyl)-2-(2-bromophenyl)sulfinylpropanamide
CID 61288025
sodium 2-bromobenzenesulfinate
CID 23721879
1-phenylethanesulfinate;sulfuric acid
CID 174523812
1-[(1R)-1-(benzenesulfinyl)ethyl]-4-(trifluoromethyl)benzene
CID 102320768
cumene;2-methylpropane
CID 90828344
[[(R)-methylsulfinyl]-phenylmethyl]benzene
CID 124577636

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(1-phenylethylsulfinyl)benzene?
The IUPAC name of 1-bromo-2-(1-phenylethylsulfinyl)benzene (CID 75512158) is 1-bromo-2-(1-phenylethylsulfinyl)benzene.
What is the SMILES notation for 1-bromo-2-(1-phenylethylsulfinyl)benzene?
The canonical SMILES for 1-bromo-2-(1-phenylethylsulfinyl)benzene is CC(c1ccccc1)S(=O)c1ccccc1Br.
What is the InChIKey of 1-bromo-2-(1-phenylethylsulfinyl)benzene?
The InChIKey is RCZCCBJFGUBTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrOS/c1-11(12-7-3-2-4-8-12)17(16)14-10-6-5-9-13(14)15/h2-11H,1H3.
What are the key properties of 1-bromo-2-(1-phenylethylsulfinyl)benzene?
1-bromo-2-(1-phenylethylsulfinyl)benzene has a molecular weight of 309.23 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(1-phenylethylsulfinyl)benzene is sourced from PubChem (CID 75512158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).