2-bromo-3-chlorothiophene

C4H2BrClS — CID 2724561

IUPAC2-bromo-3-chlorothiophene
SMILESClc1ccsc1Br
InChIInChI=1S/C4H2BrClS/c5-4-3(6)1-2-7-4/h1-2H
InChIKeyMHRHSJIWGVBMLY-UHFFFAOYSA-N
MW197.48 g/mol
LogP3.16
Rot. Bonds

About 2-bromo-3-chlorothiophene

2-bromo-3-chlorothiophene (PubChem CID 2724561) has the molecular formula C4H2BrClS and a molecular weight of 197.48 g/mol. Its IUPAC name is 2-bromo-3-chlorothiophene.

Molecular Properties

Compound Name2-bromo-3-chlorothiophene
PubChem CID2724561
Molecular FormulaC4H2BrClS
Molecular Weight197.48 g/mol
Exact Mass195.87
IUPAC Name2-bromo-3-chlorothiophene
SMILESClc1ccsc1Br
InChIInChI=1S/C4H2BrClS/c5-4-3(6)1-2-7-4/h1-2H
InChIKeyMHRHSJIWGVBMLY-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.48
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chlorothiophene?
The IUPAC name of 2-bromo-3-chlorothiophene (CID 2724561) is 2-bromo-3-chlorothiophene.
What is the SMILES notation for 2-bromo-3-chlorothiophene?
The canonical SMILES for 2-bromo-3-chlorothiophene is Clc1ccsc1Br.
What is the InChIKey of 2-bromo-3-chlorothiophene?
The InChIKey is MHRHSJIWGVBMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrClS/c5-4-3(6)1-2-7-4/h1-2H.
What are the key properties of 2-bromo-3-chlorothiophene?
2-bromo-3-chlorothiophene has a molecular weight of 197.48 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chlorothiophene is sourced from PubChem (CID 2724561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).