2-bromo-5-(2-methylpropyl)thiophene

C8H11BrS — CID 20771902

IUPAC2-bromo-5-(2-methylpropyl)thiophene
SMILESCC(C)Cc1ccc(Br)s1
InChIInChI=1S/C8H11BrS/c1-6(2)5-7-3-4-8(9)10-7/h3-4,6H,5H2,1-2H3
InChIKeyUBOFODWCVBXQQX-UHFFFAOYSA-N
MW219.15 g/mol
LogP3.71
Rot. Bonds2

About 2-bromo-5-(2-methylpropyl)thiophene

2-bromo-5-(2-methylpropyl)thiophene (PubChem CID 20771902) has the molecular formula C8H11BrS and a molecular weight of 219.15 g/mol. Its IUPAC name is 2-bromo-5-(2-methylpropyl)thiophene.

Molecular Properties

Compound Name2-bromo-5-(2-methylpropyl)thiophene
PubChem CID20771902
Molecular FormulaC8H11BrS
Molecular Weight219.15 g/mol
Exact Mass217.98
IUPAC Name2-bromo-5-(2-methylpropyl)thiophene
SMILESCC(C)Cc1ccc(Br)s1
InChIInChI=1S/C8H11BrS/c1-6(2)5-7-3-4-8(9)10-7/h3-4,6H,5H2,1-2H3
InChIKeyUBOFODWCVBXQQX-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-5-(2-methylpropyl)thiophene 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-bromo-5-(2-methylpropyl)thiophene?
The IUPAC name of 2-bromo-5-(2-methylpropyl)thiophene (CID 20771902) is 2-bromo-5-(2-methylpropyl)thiophene.
What is the SMILES notation for 2-bromo-5-(2-methylpropyl)thiophene?
The canonical SMILES for 2-bromo-5-(2-methylpropyl)thiophene is CC(C)Cc1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-(2-methylpropyl)thiophene?
The InChIKey is UBOFODWCVBXQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrS/c1-6(2)5-7-3-4-8(9)10-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-bromo-5-(2-methylpropyl)thiophene?
2-bromo-5-(2-methylpropyl)thiophene has a molecular weight of 219.15 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-methylpropyl)thiophene is sourced from PubChem (CID 20771902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).