3-bromo-2-iodothiophene

C4H2BrIS — CID 10957176

IUPAC3-bromo-2-iodothiophene
SMILESBrc1ccsc1I
InChIInChI=1S/C4H2BrIS/c5-3-1-2-7-4(3)6/h1-2H
InChIKeyJRWOMWZUHZNFGP-UHFFFAOYSA-N
MW288.94 g/mol
LogP3.12
Rot. Bonds

About 3-bromo-2-iodothiophene

3-bromo-2-iodothiophene (PubChem CID 10957176) has the molecular formula C4H2BrIS and a molecular weight of 288.94 g/mol. Its IUPAC name is 3-bromo-2-iodothiophene.

Molecular Properties

Compound Name3-bromo-2-iodothiophene
PubChem CID10957176
Molecular FormulaC4H2BrIS
Molecular Weight288.94 g/mol
Exact Mass287.81
IUPAC Name3-bromo-2-iodothiophene
SMILESBrc1ccsc1I
InChIInChI=1S/C4H2BrIS/c5-3-1-2-7-4(3)6/h1-2H
InChIKeyJRWOMWZUHZNFGP-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 3-bromo-2-iodothiophene?
The IUPAC name of 3-bromo-2-iodothiophene (CID 10957176) is 3-bromo-2-iodothiophene.
What is the SMILES notation for 3-bromo-2-iodothiophene?
The canonical SMILES for 3-bromo-2-iodothiophene is Brc1ccsc1I.
What is the InChIKey of 3-bromo-2-iodothiophene?
The InChIKey is JRWOMWZUHZNFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrIS/c5-3-1-2-7-4(3)6/h1-2H.
What are the key properties of 3-bromo-2-iodothiophene?
3-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 3-bromo-2-iodothiophene is sourced from PubChem (CID 10957176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).