2-bromo-5-(4-bromopentyl)thiophene

C9H12Br2S — CID 64507800

IUPAC2-bromo-5-(4-bromopentyl)thiophene
SMILESCC(Br)CCCc1ccc(Br)s1
InChIInChI=1S/C9H12Br2S/c1-7(10)3-2-4-8-5-6-9(11)12-8/h5-7H,2-4H2,1H3
InChIKeyWJQZTWLOFFMOIQ-UHFFFAOYSA-N
MW312.07 g/mol
LogP4.62
Rot. Bonds4

About 2-bromo-5-(4-bromopentyl)thiophene

2-bromo-5-(4-bromopentyl)thiophene (PubChem CID 64507800) has the molecular formula C9H12Br2S and a molecular weight of 312.07 g/mol. Its IUPAC name is 2-bromo-5-(4-bromopentyl)thiophene.

Molecular Properties

Compound Name2-bromo-5-(4-bromopentyl)thiophene
PubChem CID64507800
Molecular FormulaC9H12Br2S
Molecular Weight312.07 g/mol
Exact Mass309.90
IUPAC Name2-bromo-5-(4-bromopentyl)thiophene
SMILESCC(Br)CCCc1ccc(Br)s1
InChIInChI=1S/C9H12Br2S/c1-7(10)3-2-4-8-5-6-9(11)12-8/h5-7H,2-4H2,1H3
InChIKeyWJQZTWLOFFMOIQ-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.07
LogP ≤ 54.62
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
5-(5-bromothiophen-2-yl)pentane-2,3-diol
CID 83935049
5-(5-bromothiophen-2-yl)-N-propylpentan-2-amine
CID 64504724
6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine
CID 65306600
5-(5-bromothiophen-2-yl)-N-propan-2-ylpentan-1-amine
CID 65305713
N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine
CID 115712481
N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine
CID 106043149
propan-2-yl 4-(5-bromothiophen-2-yl)butanoate
CID 112723023
N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
CID 115712476
2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol
CID 83980502
(2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol
CID 96666636
1-(5-bromothiophen-2-yl)heptan-4-one
CID 64520932

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-bromopentyl)thiophene?
The IUPAC name of 2-bromo-5-(4-bromopentyl)thiophene (CID 64507800) is 2-bromo-5-(4-bromopentyl)thiophene.
What is the SMILES notation for 2-bromo-5-(4-bromopentyl)thiophene?
The canonical SMILES for 2-bromo-5-(4-bromopentyl)thiophene is CC(Br)CCCc1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-(4-bromopentyl)thiophene?
The InChIKey is WJQZTWLOFFMOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2S/c1-7(10)3-2-4-8-5-6-9(11)12-8/h5-7H,2-4H2,1H3.
What are the key properties of 2-bromo-5-(4-bromopentyl)thiophene?
2-bromo-5-(4-bromopentyl)thiophene has a molecular weight of 312.07 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-bromopentyl)thiophene is sourced from PubChem (CID 64507800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).