2-bromo-5-(2-methylhexan-2-yl)thiophene

C11H17BrS — CID 70815938

IUPAC2-bromo-5-(2-methylhexan-2-yl)thiophene
SMILESCCCCC(C)(C)c1ccc(Br)s1
InChIInChI=1S/C11H17BrS/c1-4-5-8-11(2,3)9-6-7-10(12)13-9/h6-7H,4-5,8H2,1-3H3
InChIKeyFNIXGORGGKPZPL-UHFFFAOYSA-N
MW261.23 g/mol
LogP4.98
Rot. Bonds4

About 2-bromo-5-(2-methylhexan-2-yl)thiophene

2-bromo-5-(2-methylhexan-2-yl)thiophene (PubChem CID 70815938) has the molecular formula C11H17BrS and a molecular weight of 261.23 g/mol. Its IUPAC name is 2-bromo-5-(2-methylhexan-2-yl)thiophene.

Molecular Properties

Compound Name2-bromo-5-(2-methylhexan-2-yl)thiophene
PubChem CID70815938
Molecular FormulaC11H17BrS
Molecular Weight261.23 g/mol
Exact Mass260.02
IUPAC Name2-bromo-5-(2-methylhexan-2-yl)thiophene
SMILESCCCCC(C)(C)c1ccc(Br)s1
InChIInChI=1S/C11H17BrS/c1-4-5-8-11(2,3)9-6-7-10(12)13-9/h6-7H,4-5,8H2,1-3H3
InChIKeyFNIXGORGGKPZPL-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-5-(2-methylhexan-2-yl)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-methylhexan-2-yl)thiophene?
The IUPAC name of 2-bromo-5-(2-methylhexan-2-yl)thiophene (CID 70815938) is 2-bromo-5-(2-methylhexan-2-yl)thiophene.
What is the SMILES notation for 2-bromo-5-(2-methylhexan-2-yl)thiophene?
The canonical SMILES for 2-bromo-5-(2-methylhexan-2-yl)thiophene is CCCCC(C)(C)c1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-(2-methylhexan-2-yl)thiophene?
The InChIKey is FNIXGORGGKPZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrS/c1-4-5-8-11(2,3)9-6-7-10(12)13-9/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 2-bromo-5-(2-methylhexan-2-yl)thiophene?
2-bromo-5-(2-methylhexan-2-yl)thiophene has a molecular weight of 261.23 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-methylhexan-2-yl)thiophene is sourced from PubChem (CID 70815938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).