2-bromo-5-(1-chlorobutyl)thiophene

C8H10BrClS — CID 61085689

IUPAC2-bromo-5-(1-chlorobutyl)thiophene
SMILESCCCC(Cl)c1ccc(Br)s1
InChIInChI=1S/C8H10BrClS/c1-2-3-6(10)7-4-5-8(9)11-7/h4-6H,2-3H2,1H3
InChIKeyXZSMNUGAEXADSJ-UHFFFAOYSA-N
MW253.59 g/mol
LogP4.59
Rot. Bonds3

About 2-bromo-5-(1-chlorobutyl)thiophene

2-bromo-5-(1-chlorobutyl)thiophene (PubChem CID 61085689) has the molecular formula C8H10BrClS and a molecular weight of 253.59 g/mol. Its IUPAC name is 2-bromo-5-(1-chlorobutyl)thiophene.

Molecular Properties

Compound Name2-bromo-5-(1-chlorobutyl)thiophene
PubChem CID61085689
Molecular FormulaC8H10BrClS
Molecular Weight253.59 g/mol
Exact Mass251.94
IUPAC Name2-bromo-5-(1-chlorobutyl)thiophene
SMILESCCCC(Cl)c1ccc(Br)s1
InChIInChI=1S/C8H10BrClS/c1-2-3-6(10)7-4-5-8(9)11-7/h4-6H,2-3H2,1H3
InChIKeyXZSMNUGAEXADSJ-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.59
LogP ≤ 54.59
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

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2-bromo-5-(1-bromoheptyl)thiophene
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2-bromo-5-[(4-butylphenyl)-chloromethyl]thiophene
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1-(5-bromothiophen-2-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571920
2-bromo-5-(1-bromo-2-ethylhexyl)thiophene
CID 63443930
1-(5-bromothiophen-2-yl)hexylhydrazine
CID 105222257
1-(5-bromothiophen-2-yl)-N-methyldodecan-1-amine
CID 65447449
1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol
CID 61081920
N-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962436
2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]thiophene
CID 63434185

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-chlorobutyl)thiophene?
The IUPAC name of 2-bromo-5-(1-chlorobutyl)thiophene (CID 61085689) is 2-bromo-5-(1-chlorobutyl)thiophene.
What is the SMILES notation for 2-bromo-5-(1-chlorobutyl)thiophene?
The canonical SMILES for 2-bromo-5-(1-chlorobutyl)thiophene is CCCC(Cl)c1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-(1-chlorobutyl)thiophene?
The InChIKey is XZSMNUGAEXADSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClS/c1-2-3-6(10)7-4-5-8(9)11-7/h4-6H,2-3H2,1H3.
What are the key properties of 2-bromo-5-(1-chlorobutyl)thiophene?
2-bromo-5-(1-chlorobutyl)thiophene has a molecular weight of 253.59 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1-chlorobutyl)thiophene is sourced from PubChem (CID 61085689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).