3-bromo-2-chlorothiophene

C4H2BrClS — CID 2724559

IUPAC3-bromo-2-chlorothiophene
SMILESClc1sccc1Br
InChIInChI=1S/C4H2BrClS/c5-3-1-2-7-4(3)6/h1-2H
InChIKeyKSHOQKKCPJELBV-UHFFFAOYSA-N
MW197.48 g/mol
LogP3.16
Rot. Bonds

About 3-bromo-2-chlorothiophene

3-bromo-2-chlorothiophene (PubChem CID 2724559) has the molecular formula C4H2BrClS and a molecular weight of 197.48 g/mol. Its IUPAC name is 3-bromo-2-chlorothiophene.

Molecular Properties

Compound Name3-bromo-2-chlorothiophene
PubChem CID2724559
Molecular FormulaC4H2BrClS
Molecular Weight197.48 g/mol
Exact Mass195.87
IUPAC Name3-bromo-2-chlorothiophene
SMILESClc1sccc1Br
InChIInChI=1S/C4H2BrClS/c5-3-1-2-7-4(3)6/h1-2H
InChIKeyKSHOQKKCPJELBV-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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Related Compounds

3-Bromothiophene
CID 13383
2-Chlorothiophene
CID 7299
2-Bromo-5-chlorothiophene
CID 76133
3-Bromo-2,5-dichlorothiophene
CID 521925
4-Bromo-2-chlorothiophene
CID 2724558
3,5-Dibromo-2-chlorothiophene
CID 13011177
3-Bromo-2-chloro-5-iodothiophene
CID 102828897
3-Bromo-5-chloro-2-iodothiophene
CID 155820399
2-Bromo-3-chlorothiophene
CID 2724561
3-Bromo-4-chlorothiophene
CID 12356512
2-Bromo-4-chlorothiophene
CID 13780838
2-Bromo-3,5-dichlorothiophene
CID 81718592

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chlorothiophene?
The IUPAC name of 3-bromo-2-chlorothiophene (CID 2724559) is 3-bromo-2-chlorothiophene.
What is the SMILES notation for 3-bromo-2-chlorothiophene?
The canonical SMILES for 3-bromo-2-chlorothiophene is Clc1sccc1Br.
What is the InChIKey of 3-bromo-2-chlorothiophene?
The InChIKey is KSHOQKKCPJELBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrClS/c5-3-1-2-7-4(3)6/h1-2H.
What are the key properties of 3-bromo-2-chlorothiophene?
3-bromo-2-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 3-bromo-2-chlorothiophene is sourced from PubChem (CID 2724559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).