2-butyl-5-(2-methylpropyl)thiophene

C12H20S — CID 592856

IUPAC2-butyl-5-(2-methylpropyl)thiophene
SMILESCCCCc1ccc(CC(C)C)s1
InChIInChI=1S/C12H20S/c1-4-5-6-11-7-8-12(13-11)9-10(2)3/h7-8,10H,4-6,9H2,1-3H3
InChIKeyHJCWKWZVISNUOT-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.29
Rot. Bonds5

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

2-butyl-5-(2-methylpropyl)thiophene (PubChem CID 592856) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is 2-butyl-5-(2-methylpropyl)thiophene.

Molecular Properties

Compound Name2-butyl-5-(2-methylpropyl)thiophene
PubChem CID592856
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Name2-butyl-5-(2-methylpropyl)thiophene
SMILESCCCCc1ccc(CC(C)C)s1
InChIInChI=1S/C12H20S/c1-4-5-6-11-7-8-12(13-11)9-10(2)3/h7-8,10H,4-6,9H2,1-3H3
InChIKeyHJCWKWZVISNUOT-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-butyl-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-butyl-5-(2-methylpropyl)thiophene?
The IUPAC name of 2-butyl-5-(2-methylpropyl)thiophene (CID 592856) is 2-butyl-5-(2-methylpropyl)thiophene.
What is the SMILES notation for 2-butyl-5-(2-methylpropyl)thiophene?
The canonical SMILES for 2-butyl-5-(2-methylpropyl)thiophene is CCCCc1ccc(CC(C)C)s1.
What is the InChIKey of 2-butyl-5-(2-methylpropyl)thiophene?
The InChIKey is HJCWKWZVISNUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20S/c1-4-5-6-11-7-8-12(13-11)9-10(2)3/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 2-butyl-5-(2-methylpropyl)thiophene?
2-butyl-5-(2-methylpropyl)thiophene has a molecular weight of 196.36 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-(2-methylpropyl)thiophene is sourced from PubChem (CID 592856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).