2-(4-bromopentyl)-5-ethylthiophene

C11H17BrS — CID 64507801

IUPAC2-(4-bromopentyl)-5-ethylthiophene
SMILESCCc1ccc(CCCC(C)Br)s1
InChIInChI=1S/C11H17BrS/c1-3-10-7-8-11(13-10)6-4-5-9(2)12/h7-9H,3-6H2,1-2H3
InChIKeyJPOVDZFZWPWNGI-UHFFFAOYSA-N
MW261.23 g/mol
LogP4.42
Rot. Bonds5

About 2-(4-bromopentyl)-5-ethylthiophene

2-(4-bromopentyl)-5-ethylthiophene (PubChem CID 64507801) has the molecular formula C11H17BrS and a molecular weight of 261.23 g/mol. Its IUPAC name is 2-(4-bromopentyl)-5-ethylthiophene.

Molecular Properties

Compound Name2-(4-bromopentyl)-5-ethylthiophene
PubChem CID64507801
Molecular FormulaC11H17BrS
Molecular Weight261.23 g/mol
Exact Mass260.02
IUPAC Name2-(4-bromopentyl)-5-ethylthiophene
SMILESCCc1ccc(CCCC(C)Br)s1
InChIInChI=1S/C11H17BrS/c1-3-10-7-8-11(13-10)6-4-5-9(2)12/h7-9H,3-6H2,1-2H3
InChIKeyJPOVDZFZWPWNGI-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-bromopentyl)-5-ethylthiophene 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

5-(5-ethylthiophen-2-yl)pentan-2-amine
CID 64502698
2-bromo-5-(4-bromopentyl)thiophene
CID 64507800
2-(4-chloroheptyl)-5-ethylthiophene
CID 64516621
2-(3-bromopentyl)-5-ethylthiophene
CID 63471038
2-dodecyl-5-ethylthiophene
CID 528251
2,5-diethylthiophene
CID 521294
4-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 64504459
2-[2-(5-ethylthiophen-2-yl)ethyl]propane-1,3-diamine
CID 83929368
N-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine
CID 60996677
2-(4-bromohexyl)-5-chlorothiophene
CID 64509206
5-[5-(2-methylpropyl)thiophen-2-yl]pentan-2-ol
CID 143591547
2,5-diheptylthiophene
CID 607114

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopentyl)-5-ethylthiophene?
The IUPAC name of 2-(4-bromopentyl)-5-ethylthiophene (CID 64507801) is 2-(4-bromopentyl)-5-ethylthiophene.
What is the SMILES notation for 2-(4-bromopentyl)-5-ethylthiophene?
The canonical SMILES for 2-(4-bromopentyl)-5-ethylthiophene is CCc1ccc(CCCC(C)Br)s1.
What is the InChIKey of 2-(4-bromopentyl)-5-ethylthiophene?
The InChIKey is JPOVDZFZWPWNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrS/c1-3-10-7-8-11(13-10)6-4-5-9(2)12/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-(4-bromopentyl)-5-ethylthiophene?
2-(4-bromopentyl)-5-ethylthiophene has a molecular weight of 261.23 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopentyl)-5-ethylthiophene is sourced from PubChem (CID 64507801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).