2-bromo-5-ethenyl-3-methylthiophene

C7H7BrS — CID 118245747

IUPAC2-bromo-5-ethenyl-3-methylthiophene
SMILESC=Cc1cc(C)c(Br)s1
InChIInChI=1S/C7H7BrS/c1-3-6-4-5(2)7(8)9-6/h3-4H,1H2,2H3
InChIKeyKTSUTOGDPXXPIV-UHFFFAOYSA-N
MW203.10 g/mol
LogP3.46
Rot. Bonds1

About 2-bromo-5-ethenyl-3-methylthiophene

2-bromo-5-ethenyl-3-methylthiophene (PubChem CID 118245747) has the molecular formula C7H7BrS and a molecular weight of 203.10 g/mol. Its IUPAC name is 2-bromo-5-ethenyl-3-methylthiophene.

Molecular Properties

Compound Name2-bromo-5-ethenyl-3-methylthiophene
PubChem CID118245747
Molecular FormulaC7H7BrS
Molecular Weight203.10 g/mol
Exact Mass201.95
IUPAC Name2-bromo-5-ethenyl-3-methylthiophene
SMILESC=Cc1cc(C)c(Br)s1
InChIInChI=1S/C7H7BrS/c1-3-6-4-5(2)7(8)9-6/h3-4H,1H2,2H3
InChIKeyKTSUTOGDPXXPIV-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.10
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(5-bromo-4-methylthiophen-2-yl)prop-2-enenitrile
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(1S)-1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-amine
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2-bromo-5-tert-butyl-3-methylthiophene
CID 146378134
(5-bromo-4-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanol
CID 79996997
N-[(5-bromo-4-methylthiophen-2-yl)methyl]but-3-en-2-amine
CID 115711129
1-[(1S)-1-(5-bromo-4-methylthiophen-2-yl)prop-2-enyl]piperazine;dihydrochloride
CID 171276296
5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79925847
5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide
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1-[(1R)-1-(5-bromo-4-methylthiophen-2-yl)but-3-enyl]piperazine
CID 171288927
5-bromo-4-methylthiophene-2-sulfonyl bromide
CID 130493587
2-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-3,6-dimethylbenzoic acid
CID 103430669

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-ethenyl-3-methylthiophene?
The IUPAC name of 2-bromo-5-ethenyl-3-methylthiophene (CID 118245747) is 2-bromo-5-ethenyl-3-methylthiophene.
What is the SMILES notation for 2-bromo-5-ethenyl-3-methylthiophene?
The canonical SMILES for 2-bromo-5-ethenyl-3-methylthiophene is C=Cc1cc(C)c(Br)s1.
What is the InChIKey of 2-bromo-5-ethenyl-3-methylthiophene?
The InChIKey is KTSUTOGDPXXPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrS/c1-3-6-4-5(2)7(8)9-6/h3-4H,1H2,2H3.
What are the key properties of 2-bromo-5-ethenyl-3-methylthiophene?
2-bromo-5-ethenyl-3-methylthiophene has a molecular weight of 203.10 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-ethenyl-3-methylthiophene is sourced from PubChem (CID 118245747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).