2-(1-bromoethyl)-5-chlorothiophene

C6H6BrClS — CID 61096745

IUPAC2-(1-bromoethyl)-5-chlorothiophene
SMILESCC(Br)c1ccc(Cl)s1
InChIInChI=1S/C6H6BrClS/c1-4(7)5-2-3-6(8)9-5/h2-4H,1H3
InChIKeyYOVHDYGXVHWOFY-UHFFFAOYSA-N
MW225.54 g/mol
LogP3.86
Rot. Bonds1

About 2-(1-bromoethyl)-5-chlorothiophene

2-(1-bromoethyl)-5-chlorothiophene (PubChem CID 61096745) has the molecular formula C6H6BrClS and a molecular weight of 225.54 g/mol. Its IUPAC name is 2-(1-bromoethyl)-5-chlorothiophene.

Molecular Properties

Compound Name2-(1-bromoethyl)-5-chlorothiophene
PubChem CID61096745
Molecular FormulaC6H6BrClS
Molecular Weight225.54 g/mol
Exact Mass223.91
IUPAC Name2-(1-bromoethyl)-5-chlorothiophene
SMILESCC(Br)c1ccc(Cl)s1
InChIInChI=1S/C6H6BrClS/c1-4(7)5-2-3-6(8)9-5/h2-4H,1H3
InChIKeyYOVHDYGXVHWOFY-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

1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol
CID 61088930
2-(5-chlorothiophen-2-yl)-3-methylbutanenitrile
CID 82076378
2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 107903709
2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene
CID 165073785
5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102764894
2-chloro-5-(1-isothiocyanatoethyl)thiophene
CID 61472775
3-(5-chlorothiophen-2-yl)butan-1-ol
CID 82075571
3-(5-chlorothiophen-2-yl)butane-1-thiol
CID 83934850
2-chloro-5-(1-chloropropyl)thiophene
CID 61086027
1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 43114556
(1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 171200575

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoethyl)-5-chlorothiophene?
The IUPAC name of 2-(1-bromoethyl)-5-chlorothiophene (CID 61096745) is 2-(1-bromoethyl)-5-chlorothiophene.
What is the SMILES notation for 2-(1-bromoethyl)-5-chlorothiophene?
The canonical SMILES for 2-(1-bromoethyl)-5-chlorothiophene is CC(Br)c1ccc(Cl)s1.
What is the InChIKey of 2-(1-bromoethyl)-5-chlorothiophene?
The InChIKey is YOVHDYGXVHWOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrClS/c1-4(7)5-2-3-6(8)9-5/h2-4H,1H3.
What are the key properties of 2-(1-bromoethyl)-5-chlorothiophene?
2-(1-bromoethyl)-5-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 2-(1-bromoethyl)-5-chlorothiophene is sourced from PubChem (CID 61096745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).