2-(3-bromopentyl)-5-ethylthiophene

C11H17BrS — CID 63471038

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

About 2-(3-bromopentyl)-5-ethylthiophene

2-(3-bromopentyl)-5-ethylthiophene (PubChem CID 63471038) has the molecular formula C11H17BrS and a molecular weight of 261.23 g/mol. Its IUPAC name is 2-(3-bromopentyl)-5-ethylthiophene.

Molecular Properties

Compound Name2-(3-bromopentyl)-5-ethylthiophene
PubChem CID63471038
Molecular FormulaC11H17BrS
Molecular Weight261.23 g/mol
Exact Mass260.02
IUPAC Name2-(3-bromopentyl)-5-ethylthiophene
SMILESCCc1ccc(CCC(Br)CC)s1
InChIInChI=1S/C11H17BrS/c1-3-9(12)5-6-11-8-7-10(4-2)13-11/h7-9H,3-6H2,1-2H3
InChIKeyGANDCYUBQJMCBF-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'}

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Related Compounds

2-(4-bromopentyl)-5-ethylthiophene
CID 64507801
2,5-diethylthiophene
CID 521294
2-[2-(5-ethylthiophen-2-yl)ethyl]propane-1,3-diamine
CID 83929368
2-(4-bromohexyl)-5-chlorothiophene
CID 64509206
N-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine
CID 60996677
5-(5-ethylthiophen-2-yl)pentan-2-amine
CID 64502698
2-(4-chloroheptyl)-5-ethylthiophene
CID 64516621
4-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine
CID 81010267
2-dodecyl-5-ethylthiophene
CID 528251
4-(5-ethylthiophen-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 64504459
1-(5-ethylthiophen-2-yl)hexan-3-one
CID 43370314
2-ethyl-5-hex-3-ynylthiophene
CID 83929425

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopentyl)-5-ethylthiophene?
The IUPAC name of 2-(3-bromopentyl)-5-ethylthiophene (CID 63471038) is 2-(3-bromopentyl)-5-ethylthiophene.
What is the SMILES notation for 2-(3-bromopentyl)-5-ethylthiophene?
The canonical SMILES for 2-(3-bromopentyl)-5-ethylthiophene is CCc1ccc(CCC(Br)CC)s1.
What is the InChIKey of 2-(3-bromopentyl)-5-ethylthiophene?
The InChIKey is GANDCYUBQJMCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrS/c1-3-9(12)5-6-11-8-7-10(4-2)13-11/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-(3-bromopentyl)-5-ethylthiophene?
2-(3-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-(3-bromopentyl)-5-ethylthiophene is sourced from PubChem (CID 63471038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).