4-butyl-2-methylthiophene

C9H14S — CID 59065430

IUPAC4-butyl-2-methylthiophene
SMILESCCCCc1csc(C)c1
InChIInChI=1S/C9H14S/c1-3-4-5-9-6-8(2)10-7-9/h6-7H,3-5H2,1-2H3
InChIKeyILWGIQNGCLXOAZ-UHFFFAOYSA-N
MW154.28 g/mol
LogP3.40
Rot. Bonds3

About 4-butyl-2-methylthiophene

4-butyl-2-methylthiophene (PubChem CID 59065430) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 4-butyl-2-methylthiophene.

Molecular Properties

Compound Name4-butyl-2-methylthiophene
PubChem CID59065430
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name4-butyl-2-methylthiophene
SMILESCCCCc1csc(C)c1
InChIInChI=1S/C9H14S/c1-3-4-5-9-6-8(2)10-7-9/h6-7H,3-5H2,1-2H3
InChIKeyILWGIQNGCLXOAZ-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-butyl-2-methylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-ethyl-2-methylthiophene
CID 143587755
4-(3-bromohexyl)-2-methylthiophene
CID 65102181
4-nonyl-2-(4-nonylthiophen-2-yl)thiophene
CID 139119009
4-(3-chloropentyl)-2-methylthiophene
CID 65102068
4-hexyl-2-[4-(4-hexylthiophen-2-yl)-2,5-dimethylphenyl]thiophene
CID 101038762
2-methyl-N-[2-(5-methylthiophen-3-yl)ethyl]propan-1-amine
CID 65104535
4-hexyl-2-(4-methylphenyl)thiophene
CID 102312853
tributyl-(4-pentylthiophen-2-yl)stannane
CID 176916017
4-(3-chloro-4,4-dimethylpentyl)-2-methylthiophene
CID 65102071
1,1-bis(4-hexylthiophen-2-yl)propan-2-one
CID 118412629
sodium (4-dodecylthiophen-2-yl)-trihydroxyboranuide
CID 23697394
4-dodecylthiophene-2-carboxylic acid
CID 70496185

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-methylthiophene?
The IUPAC name of 4-butyl-2-methylthiophene (CID 59065430) is 4-butyl-2-methylthiophene.
What is the SMILES notation for 4-butyl-2-methylthiophene?
The canonical SMILES for 4-butyl-2-methylthiophene is CCCCc1csc(C)c1.
What is the InChIKey of 4-butyl-2-methylthiophene?
The InChIKey is ILWGIQNGCLXOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-3-4-5-9-6-8(2)10-7-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-butyl-2-methylthiophene?
4-butyl-2-methylthiophene has a molecular weight of 154.28 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-methylthiophene is sourced from PubChem (CID 59065430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).