1-bromo-4-(2-methylsulfanylethenyl)benzene

C9H9BrS — CID 86218693

IUPAC1-bromo-4-(2-methylsulfanylethenyl)benzene
SMILESCSC=Cc1ccc(Br)cc1
InChIInChI=1S/C9H9BrS/c1-11-7-6-8-2-4-9(10)5-3-8/h2-7H,1H3
InChIKeySEEWXMFGVZHQSL-UHFFFAOYSA-N
MW229.14 g/mol
LogP3.78
Rot. Bonds2

About 1-bromo-4-(2-methylsulfanylethenyl)benzene

1-bromo-4-(2-methylsulfanylethenyl)benzene (PubChem CID 86218693) has the molecular formula C9H9BrS and a molecular weight of 229.14 g/mol. Its IUPAC name is 1-bromo-4-(2-methylsulfanylethenyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2-methylsulfanylethenyl)benzene
PubChem CID86218693
Molecular FormulaC9H9BrS
Molecular Weight229.14 g/mol
Exact Mass227.96
IUPAC Name1-bromo-4-(2-methylsulfanylethenyl)benzene
SMILESCSC=Cc1ccc(Br)cc1
InChIInChI=1S/C9H9BrS/c1-11-7-6-8-2-4-9(10)5-3-8/h2-7H,1H3
InChIKeySEEWXMFGVZHQSL-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-4-[(E)-2-methylsulfanylethenyl]benzene
CID 12021503
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1,5-bis(4-bromophenyl)penta-1,4-dien-3-one
CID 5127600
(Z)-3-(4-bromophenyl)prop-2-en-1-amine
CID 124584834
[4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane
CID 59310555
1-bromo-4-ethenylbenzene;ethane
CID 144688744
[(E)-2-(4-bromophenyl)ethenyl]-triphenylsilane
CID 132821935
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CID 67720671

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-methylsulfanylethenyl)benzene?
The IUPAC name of 1-bromo-4-(2-methylsulfanylethenyl)benzene (CID 86218693) is 1-bromo-4-(2-methylsulfanylethenyl)benzene.
What is the SMILES notation for 1-bromo-4-(2-methylsulfanylethenyl)benzene?
The canonical SMILES for 1-bromo-4-(2-methylsulfanylethenyl)benzene is CSC=Cc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(2-methylsulfanylethenyl)benzene?
The InChIKey is SEEWXMFGVZHQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrS/c1-11-7-6-8-2-4-9(10)5-3-8/h2-7H,1H3.
What are the key properties of 1-bromo-4-(2-methylsulfanylethenyl)benzene?
1-bromo-4-(2-methylsulfanylethenyl)benzene has a molecular weight of 229.14 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-methylsulfanylethenyl)benzene is sourced from PubChem (CID 86218693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).