4-bromo-2-prop-1-en-2-ylthiophene

C7H7BrS — CID 107355349

IUPAC4-bromo-2-prop-1-en-2-ylthiophene
SMILESC=C(C)c1cc(Br)cs1
InChIInChI=1S/C7H7BrS/c1-5(2)7-3-6(8)4-9-7/h3-4H,1H2,2H3
InChIKeyKAPOLPPJHFWUMO-UHFFFAOYSA-N
MW203.10 g/mol
LogP3.54
Rot. Bonds1

About 4-bromo-2-prop-1-en-2-ylthiophene

4-bromo-2-prop-1-en-2-ylthiophene (PubChem CID 107355349) has the molecular formula C7H7BrS and a molecular weight of 203.10 g/mol. Its IUPAC name is 4-bromo-2-prop-1-en-2-ylthiophene.

Molecular Properties

Compound Name4-bromo-2-prop-1-en-2-ylthiophene
PubChem CID107355349
Molecular FormulaC7H7BrS
Molecular Weight203.10 g/mol
Exact Mass201.95
IUPAC Name4-bromo-2-prop-1-en-2-ylthiophene
SMILESC=C(C)c1cc(Br)cs1
InChIInChI=1S/C7H7BrS/c1-5(2)7-3-6(8)4-9-7/h3-4H,1H2,2H3
InChIKeyKAPOLPPJHFWUMO-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-bromo-2-prop-1-en-2-ylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-one
CID 82302526
argon;methyl 4-bromothiophene-2-carboxylate
CID 146371918
(4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanone
CID 82294562
(NZ,R)-N-[1-(4-bromothiophen-2-yl)ethylidene]-2-methylpropane-2-sulfinamide
CID 59764141
1-(4-bromothiophen-2-yl)-3-hydroxypropan-1-one
CID 82291002
N-(3-acetamidophenyl)-4-bromothiophene-2-carboxamide
CID 17173176
4-(4-bromothiophen-2-yl)-2-methyl-4-oxobutanoic acid
CID 116918430
4-bromo-2-tert-butyl-6-prop-1-en-2-ylphenol
CID 89029788
1-(4-bromothiophen-2-yl)-4-hydroxybutan-1-one
CID 82480445
(4-bromothiophen-2-yl)-(4-methylfuran-3-yl)methanone
CID 131043283
4-bromo-N-cyclopropylthiophene-2-carboxamide
CID 110763428
azepan-1-yl-(4-bromothiophen-2-yl)methanone
CID 2225278

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-prop-1-en-2-ylthiophene?
The IUPAC name of 4-bromo-2-prop-1-en-2-ylthiophene (CID 107355349) is 4-bromo-2-prop-1-en-2-ylthiophene.
What is the SMILES notation for 4-bromo-2-prop-1-en-2-ylthiophene?
The canonical SMILES for 4-bromo-2-prop-1-en-2-ylthiophene is C=C(C)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-2-prop-1-en-2-ylthiophene?
The InChIKey is KAPOLPPJHFWUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrS/c1-5(2)7-3-6(8)4-9-7/h3-4H,1H2,2H3.
What are the key properties of 4-bromo-2-prop-1-en-2-ylthiophene?
4-bromo-2-prop-1-en-2-ylthiophene has a molecular weight of 203.10 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-prop-1-en-2-ylthiophene is sourced from PubChem (CID 107355349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).