(2-bromo-2-methylsulfanylethenyl)benzene

C9H9BrS — CID 71358341

IUPAC(2-bromo-2-methylsulfanylethenyl)benzene
SMILESCSC(Br)=Cc1ccccc1
InChIInChI=1S/C9H9BrS/c1-11-9(10)7-8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyQOIKAHJZHLZLMH-UHFFFAOYSA-N
MW229.14 g/mol
LogP3.74
Rot. Bonds2

About (2-bromo-2-methylsulfanylethenyl)benzene

(2-bromo-2-methylsulfanylethenyl)benzene (PubChem CID 71358341) has the molecular formula C9H9BrS and a molecular weight of 229.14 g/mol. Its IUPAC name is (2-bromo-2-methylsulfanylethenyl)benzene.

Molecular Properties

Compound Name(2-bromo-2-methylsulfanylethenyl)benzene
PubChem CID71358341
Molecular FormulaC9H9BrS
Molecular Weight229.14 g/mol
Exact Mass227.96
IUPAC Name(2-bromo-2-methylsulfanylethenyl)benzene
SMILESCSC(Br)=Cc1ccccc1
InChIInChI=1S/C9H9BrS/c1-11-9(10)7-8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyQOIKAHJZHLZLMH-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.14
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(E)-2-bromo-2-methylsulfanylethenyl]benzene
CID 11770236
2,2-dibromo(113C)ethenylbenzene
CID 131856077
[(E)-2-methylsulfanylbut-1-enyl]benzene
CID 134994915
[(E)-2-bromobut-1-enyl]benzene
CID 15418577
[(E)-2-bromo-2-methylselanylethenyl]benzene
CID 10989488
N-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline
CID 132574218
1-[(Z)-1-bromo-2-phenylethenyl]-4-methylbenzene
CID 15417413
[(E)-3-bromo-2-methylprop-1-enyl]benzene
CID 10910824
1-[(Z)-1-methylsulfanyl-2-phenylethenyl]cyclohexan-1-ol
CID 134932973
(Z)-2-methyl-3-phenylprop-2-enoyl chloride
CID 5355069
[(1E)-3-fluoro-2-methylbuta-1,3-dienyl]benzene
CID 12586000
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501

Frequently Asked Questions

What is the IUPAC name of (2-bromo-2-methylsulfanylethenyl)benzene?
The IUPAC name of (2-bromo-2-methylsulfanylethenyl)benzene (CID 71358341) is (2-bromo-2-methylsulfanylethenyl)benzene.
What is the SMILES notation for (2-bromo-2-methylsulfanylethenyl)benzene?
The canonical SMILES for (2-bromo-2-methylsulfanylethenyl)benzene is CSC(Br)=Cc1ccccc1.
What is the InChIKey of (2-bromo-2-methylsulfanylethenyl)benzene?
The InChIKey is QOIKAHJZHLZLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrS/c1-11-9(10)7-8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of (2-bromo-2-methylsulfanylethenyl)benzene?
(2-bromo-2-methylsulfanylethenyl)benzene has a molecular weight of 229.14 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-2-methylsulfanylethenyl)benzene is sourced from PubChem (CID 71358341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).