2-bromo-3-(bromomethyl)thiophene

C5H4Br2S — CID 2735537

IUPAC2-bromo-3-(bromomethyl)thiophene
SMILESBrCc1ccsc1Br
InChIInChI=1S/C5H4Br2S/c6-3-4-1-2-8-5(4)7/h1-2H,3H2
InChIKeyZPWPMAAPQZXPDD-UHFFFAOYSA-N
MW255.96 g/mol
LogP3.41
Rot. Bonds1

About 2-bromo-3-(bromomethyl)thiophene

2-bromo-3-(bromomethyl)thiophene (PubChem CID 2735537) has the molecular formula C5H4Br2S and a molecular weight of 255.96 g/mol. Its IUPAC name is 2-bromo-3-(bromomethyl)thiophene.

Molecular Properties

Compound Name2-bromo-3-(bromomethyl)thiophene
PubChem CID2735537
Molecular FormulaC5H4Br2S
Molecular Weight255.96 g/mol
Exact Mass253.84
IUPAC Name2-bromo-3-(bromomethyl)thiophene
SMILESBrCc1ccsc1Br
InChIInChI=1S/C5H4Br2S/c6-3-4-1-2-8-5(4)7/h1-2H,3H2
InChIKeyZPWPMAAPQZXPDD-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.96
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(bromomethyl)thiophene?
The IUPAC name of 2-bromo-3-(bromomethyl)thiophene (CID 2735537) is 2-bromo-3-(bromomethyl)thiophene.
What is the SMILES notation for 2-bromo-3-(bromomethyl)thiophene?
The canonical SMILES for 2-bromo-3-(bromomethyl)thiophene is BrCc1ccsc1Br.
What is the InChIKey of 2-bromo-3-(bromomethyl)thiophene?
The InChIKey is ZPWPMAAPQZXPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2S/c6-3-4-1-2-8-5(4)7/h1-2H,3H2.
What are the key properties of 2-bromo-3-(bromomethyl)thiophene?
2-bromo-3-(bromomethyl)thiophene has a molecular weight of 255.96 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(bromomethyl)thiophene is sourced from PubChem (CID 2735537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).