4-bromo-2-(chloromethyl)thiophene

C5H4BrClS — CID 22291166

IUPAC4-bromo-2-(chloromethyl)thiophene
SMILESClCc1cc(Br)cs1
InChIInChI=1S/C5H4BrClS/c6-4-1-5(2-7)8-3-4/h1,3H,2H2
InChIKeyJOPVYZZZKLTMMD-UHFFFAOYSA-N
MW211.51 g/mol
LogP3.25
Rot. Bonds1

About 4-bromo-2-(chloromethyl)thiophene

4-bromo-2-(chloromethyl)thiophene (PubChem CID 22291166) has the molecular formula C5H4BrClS and a molecular weight of 211.51 g/mol. Its IUPAC name is 4-bromo-2-(chloromethyl)thiophene.

Molecular Properties

Compound Name4-bromo-2-(chloromethyl)thiophene
PubChem CID22291166
Molecular FormulaC5H4BrClS
Molecular Weight211.51 g/mol
Exact Mass209.89
IUPAC Name4-bromo-2-(chloromethyl)thiophene
SMILESClCc1cc(Br)cs1
InChIInChI=1S/C5H4BrClS/c6-4-1-5(2-7)8-3-4/h1,3H,2H2
InChIKeyJOPVYZZZKLTMMD-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.51
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(chloromethyl)thiophene?
The IUPAC name of 4-bromo-2-(chloromethyl)thiophene (CID 22291166) is 4-bromo-2-(chloromethyl)thiophene.
What is the SMILES notation for 4-bromo-2-(chloromethyl)thiophene?
The canonical SMILES for 4-bromo-2-(chloromethyl)thiophene is ClCc1cc(Br)cs1.
What is the InChIKey of 4-bromo-2-(chloromethyl)thiophene?
The InChIKey is JOPVYZZZKLTMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClS/c6-4-1-5(2-7)8-3-4/h1,3H,2H2.
What are the key properties of 4-bromo-2-(chloromethyl)thiophene?
4-bromo-2-(chloromethyl)thiophene has a molecular weight of 211.51 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(chloromethyl)thiophene is sourced from PubChem (CID 22291166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).