2,5-dibromothiophene

C4H2Br2S — CID 18453

IUPAC2,5-dibromothiophene
SMILESBrc1ccc(Br)s1
InChIInChI=1S/C4H2Br2S/c5-3-1-2-4(6)7-3/h1-2H
InChIKeyKBVDUUXRXJTAJC-UHFFFAOYSA-N
MW241.94 g/mol
LogP3.27
Rot. Bonds

About 2,5-dibromothiophene

2,5-dibromothiophene (PubChem CID 18453) has the molecular formula C4H2Br2S and a molecular weight of 241.94 g/mol. Its IUPAC name is 2,5-dibromothiophene.

Molecular Properties

Compound Name2,5-dibromothiophene
PubChem CID18453
Molecular FormulaC4H2Br2S
Molecular Weight241.94 g/mol
Exact Mass239.82
IUPAC Name2,5-dibromothiophene
SMILESBrc1ccc(Br)s1
InChIInChI=1S/C4H2Br2S/c5-3-1-2-4(6)7-3/h1-2H
InChIKeyKBVDUUXRXJTAJC-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.94
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,5-dibromothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromothiophene?
The IUPAC name of 2,5-dibromothiophene (CID 18453) is 2,5-dibromothiophene.
What is the SMILES notation for 2,5-dibromothiophene?
The canonical SMILES for 2,5-dibromothiophene is Brc1ccc(Br)s1.
What is the InChIKey of 2,5-dibromothiophene?
The InChIKey is KBVDUUXRXJTAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Br2S/c5-3-1-2-4(6)7-3/h1-2H.
What are the key properties of 2,5-dibromothiophene?
2,5-dibromothiophene has a molecular weight of 241.94 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromothiophene is sourced from PubChem (CID 18453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).