3-bromo-2,5-dichlorothiophene

C4HBrCl2S — CID 521925

IUPAC3-bromo-2,5-dichlorothiophene
SMILESClc1cc(Br)c(Cl)s1
InChIInChI=1S/C4HBrCl2S/c5-2-1-3(6)8-4(2)7/h1H
InChIKeyPBUHOXBSIQJRNO-UHFFFAOYSA-N
MW231.93 g/mol
LogP3.82
Rot. Bonds

About 3-bromo-2,5-dichlorothiophene

3-bromo-2,5-dichlorothiophene (PubChem CID 521925) has the molecular formula C4HBrCl2S and a molecular weight of 231.93 g/mol. Its IUPAC name is 3-bromo-2,5-dichlorothiophene.

Molecular Properties

Compound Name3-bromo-2,5-dichlorothiophene
PubChem CID521925
Molecular FormulaC4HBrCl2S
Molecular Weight231.93 g/mol
Exact Mass229.84
IUPAC Name3-bromo-2,5-dichlorothiophene
SMILESClc1cc(Br)c(Cl)s1
InChIInChI=1S/C4HBrCl2S/c5-2-1-3(6)8-4(2)7/h1H
InChIKeyPBUHOXBSIQJRNO-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.93
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5-dichlorothiophene?
The IUPAC name of 3-bromo-2,5-dichlorothiophene (CID 521925) is 3-bromo-2,5-dichlorothiophene.
What is the SMILES notation for 3-bromo-2,5-dichlorothiophene?
The canonical SMILES for 3-bromo-2,5-dichlorothiophene is Clc1cc(Br)c(Cl)s1.
What is the InChIKey of 3-bromo-2,5-dichlorothiophene?
The InChIKey is PBUHOXBSIQJRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBrCl2S/c5-2-1-3(6)8-4(2)7/h1H.
What are the key properties of 3-bromo-2,5-dichlorothiophene?
3-bromo-2,5-dichlorothiophene has a molecular weight of 231.93 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5-dichlorothiophene is sourced from PubChem (CID 521925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).