4-(1-bromoethyl)-2-chlorothiophene

C6H6BrClS — CID 174383699

IUPAC4-(1-bromoethyl)-2-chlorothiophene
SMILESCC(Br)c1csc(Cl)c1
InChIInChI=1S/C6H6BrClS/c1-4(7)5-2-6(8)9-3-5/h2-4H,1H3
InChIKeyAJGFQHSTNFNMQQ-UHFFFAOYSA-N
MW225.54 g/mol
LogP3.86
Rot. Bonds1

About 4-(1-bromoethyl)-2-chlorothiophene

4-(1-bromoethyl)-2-chlorothiophene (PubChem CID 174383699) has the molecular formula C6H6BrClS and a molecular weight of 225.54 g/mol. Its IUPAC name is 4-(1-bromoethyl)-2-chlorothiophene.

Molecular Properties

Compound Name4-(1-bromoethyl)-2-chlorothiophene
PubChem CID174383699
Molecular FormulaC6H6BrClS
Molecular Weight225.54 g/mol
Exact Mass223.91
IUPAC Name4-(1-bromoethyl)-2-chlorothiophene
SMILESCC(Br)c1csc(Cl)c1
InChIInChI=1S/C6H6BrClS/c1-4(7)5-2-6(8)9-3-5/h2-4H,1H3
InChIKeyAJGFQHSTNFNMQQ-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.54
LogP ≤ 53.86
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

2,6-dibromo-N-[1-(5-chlorothiophen-3-yl)ethyl]aniline
CID 114082819
2-amino-3-(5-chlorothiophen-3-yl)butanoic acid
CID 164662267
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 102976436
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine
CID 102976313
3-(5-chlorothiophen-3-yl)-2-fluorobutanoic acid
CID 130820112
N-[1-(5-chlorothiophen-3-yl)ethyl]cyclopent-3-en-1-amine
CID 102976675
N-[1-(5-chlorothiophen-3-yl)ethyl]-3,5-difluoroaniline
CID 114082630
1-(5-chlorothiophen-3-yl)-2-(methylamino)ethanol
CID 82656370
4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol
CID 102976600
N-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline
CID 102976781
3-[1-(5-chlorothiophen-3-yl)ethylamino]butan-1-ol
CID 102976617
3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylbutan-1-ol
CID 102976626

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromoethyl)-2-chlorothiophene?
The IUPAC name of 4-(1-bromoethyl)-2-chlorothiophene (CID 174383699) is 4-(1-bromoethyl)-2-chlorothiophene.
What is the SMILES notation for 4-(1-bromoethyl)-2-chlorothiophene?
The canonical SMILES for 4-(1-bromoethyl)-2-chlorothiophene is CC(Br)c1csc(Cl)c1.
What is the InChIKey of 4-(1-bromoethyl)-2-chlorothiophene?
The InChIKey is AJGFQHSTNFNMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrClS/c1-4(7)5-2-6(8)9-3-5/h2-4H,1H3.
What are the key properties of 4-(1-bromoethyl)-2-chlorothiophene?
4-(1-bromoethyl)-2-chlorothiophene has a molecular weight of 225.54 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromoethyl)-2-chlorothiophene is sourced from PubChem (CID 174383699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).