4-bromo-2-iodothiophene

C4H2BrIS — CID 12624182

IUPAC4-bromo-2-iodothiophene
SMILESBrc1csc(I)c1
InChIInChI=1S/C4H2BrIS/c5-3-1-4(6)7-2-3/h1-2H
InChIKeyHRZQTBCVFBPNLR-UHFFFAOYSA-N
MW288.94 g/mol
LogP3.12
Rot. Bonds

About 4-bromo-2-iodothiophene

4-bromo-2-iodothiophene (PubChem CID 12624182) has the molecular formula C4H2BrIS and a molecular weight of 288.94 g/mol. Its IUPAC name is 4-bromo-2-iodothiophene.

Molecular Properties

Compound Name4-bromo-2-iodothiophene
PubChem CID12624182
Molecular FormulaC4H2BrIS
Molecular Weight288.94 g/mol
Exact Mass287.81
IUPAC Name4-bromo-2-iodothiophene
SMILESBrc1csc(I)c1
InChIInChI=1S/C4H2BrIS/c5-3-1-4(6)7-2-3/h1-2H
InChIKeyHRZQTBCVFBPNLR-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.94
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-iodothiophene?
The IUPAC name of 4-bromo-2-iodothiophene (CID 12624182) is 4-bromo-2-iodothiophene.
What is the SMILES notation for 4-bromo-2-iodothiophene?
The canonical SMILES for 4-bromo-2-iodothiophene is Brc1csc(I)c1.
What is the InChIKey of 4-bromo-2-iodothiophene?
The InChIKey is HRZQTBCVFBPNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrIS/c5-3-1-4(6)7-2-3/h1-2H.
What are the key properties of 4-bromo-2-iodothiophene?
4-bromo-2-iodothiophene has a molecular weight of 288.94 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-iodothiophene is sourced from PubChem (CID 12624182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).