4-bromo-2-pentan-3-ylthiophene

C9H13BrS — CID 82390181

IUPAC4-bromo-2-pentan-3-ylthiophene
SMILESCCC(CC)c1cc(Br)cs1
InChIInChI=1S/C9H13BrS/c1-3-7(4-2)9-5-8(10)6-11-9/h5-7H,3-4H2,1-2H3
InChIKeyHSUZWWVVPNCEJU-UHFFFAOYSA-N
MW233.17 g/mol
LogP4.41
Rot. Bonds3

About 4-bromo-2-pentan-3-ylthiophene

4-bromo-2-pentan-3-ylthiophene (PubChem CID 82390181) has the molecular formula C9H13BrS and a molecular weight of 233.17 g/mol. Its IUPAC name is 4-bromo-2-pentan-3-ylthiophene.

Molecular Properties

Compound Name4-bromo-2-pentan-3-ylthiophene
PubChem CID82390181
Molecular FormulaC9H13BrS
Molecular Weight233.17 g/mol
Exact Mass231.99
IUPAC Name4-bromo-2-pentan-3-ylthiophene
SMILESCCC(CC)c1cc(Br)cs1
InChIInChI=1S/C9H13BrS/c1-3-7(4-2)9-5-8(10)6-11-9/h5-7H,3-4H2,1-2H3
InChIKeyHSUZWWVVPNCEJU-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-pentan-3-ylthiophene-3-carbaldehyde
CID 82407564
[1-(4-bromothiophen-2-yl)-3-ethylpentyl]hydrazine
CID 105222639
(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232
1-(4-bromothiophen-2-yl)ethanol
CID 12792392
(1S)-1-(4-bromothiophen-2-yl)ethanamine;hydrochloride
CID 155903190
2-bromo-4-pentan-3-ylthiophene
CID 82390180
1-[(1R)-1-(4-bromothiophen-2-yl)propyl]piperazine
CID 95490471
2-(4-bromothiophen-2-yl)-2-(butan-2-ylamino)ethanol
CID 61348164
1-(4-bromothiophen-2-yl)-2-ethoxyethanol
CID 79567182
1-(4-bromothiophen-2-yl)butylhydrazine
CID 105222377
ethyl 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetate
CID 116914263
(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-pentan-3-ylthiophene?
The IUPAC name of 4-bromo-2-pentan-3-ylthiophene (CID 82390181) is 4-bromo-2-pentan-3-ylthiophene.
What is the SMILES notation for 4-bromo-2-pentan-3-ylthiophene?
The canonical SMILES for 4-bromo-2-pentan-3-ylthiophene is CCC(CC)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-2-pentan-3-ylthiophene?
The InChIKey is HSUZWWVVPNCEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrS/c1-3-7(4-2)9-5-8(10)6-11-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-bromo-2-pentan-3-ylthiophene?
4-bromo-2-pentan-3-ylthiophene has a molecular weight of 233.17 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-pentan-3-ylthiophene is sourced from PubChem (CID 82390181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).