4-(4-bromobut-1-enyl)-2-methylthiophene

C9H11BrS — CID 79603021

IUPAC4-(4-bromobut-1-enyl)-2-methylthiophene
SMILESCc1cc(C=CCCBr)cs1
InChIInChI=1S/C9H11BrS/c1-8-6-9(7-11-8)4-2-3-5-10/h2,4,6-7H,3,5H2,1H3
InChIKeyUDYWOANRRQDYOV-UHFFFAOYSA-N
MW231.16 g/mol
LogP3.85
Rot. Bonds3

About 4-(4-bromobut-1-enyl)-2-methylthiophene

4-(4-bromobut-1-enyl)-2-methylthiophene (PubChem CID 79603021) has the molecular formula C9H11BrS and a molecular weight of 231.16 g/mol. Its IUPAC name is 4-(4-bromobut-1-enyl)-2-methylthiophene.

Molecular Properties

Compound Name4-(4-bromobut-1-enyl)-2-methylthiophene
PubChem CID79603021
Molecular FormulaC9H11BrS
Molecular Weight231.16 g/mol
Exact Mass229.98
IUPAC Name4-(4-bromobut-1-enyl)-2-methylthiophene
SMILESCc1cc(C=CCCBr)cs1
InChIInChI=1S/C9H11BrS/c1-8-6-9(7-11-8)4-2-3-5-10/h2,4,6-7H,3,5H2,1H3
InChIKeyUDYWOANRRQDYOV-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.16
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(5-methylthiophen-3-yl)but-3-en-1-amine
CID 79590562
4-(5-methylthiophen-3-yl)-N-propan-2-ylbut-3-en-1-amine
CID 79591333
N-(2-methoxyethyl)-4-(5-methylthiophen-3-yl)but-3-en-1-amine
CID 79598549
N-[3-(5-methylthiophen-3-yl)prop-2-enyl]acetamide
CID 169464817
5-(4-bromobut-1-enyl)-2-methylaniline
CID 170497179
3-(5-methylthiophen-3-yl)prop-2-enenitrile
CID 169482992
(5-methylthiophen-3-yl)methylidenetitanium
CID 19351912
1-[(E)-4-bromobut-1-enyl]-3,5-difluorobenzene
CID 82086369
5-(4-bromobut-1-enyl)-2-methylpyridine
CID 79603355
4-bromo-2-methylthiophene;5-methylthiophene-3-carbaldehyde
CID 158194298
2-bromo-5-chloro-3-[2-(5-methylthiophen-3-yl)ethenyl]thiophene
CID 901511
1-[4-(4-bromobut-1-enyl)-2-methylphenyl]ethanone
CID 170497744

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromobut-1-enyl)-2-methylthiophene?
The IUPAC name of 4-(4-bromobut-1-enyl)-2-methylthiophene (CID 79603021) is 4-(4-bromobut-1-enyl)-2-methylthiophene.
What is the SMILES notation for 4-(4-bromobut-1-enyl)-2-methylthiophene?
The canonical SMILES for 4-(4-bromobut-1-enyl)-2-methylthiophene is Cc1cc(C=CCCBr)cs1.
What is the InChIKey of 4-(4-bromobut-1-enyl)-2-methylthiophene?
The InChIKey is UDYWOANRRQDYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrS/c1-8-6-9(7-11-8)4-2-3-5-10/h2,4,6-7H,3,5H2,1H3.
What are the key properties of 4-(4-bromobut-1-enyl)-2-methylthiophene?
4-(4-bromobut-1-enyl)-2-methylthiophene has a molecular weight of 231.16 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromobut-1-enyl)-2-methylthiophene is sourced from PubChem (CID 79603021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).