3,5-dimethyl-2-propylthiophene

C9H14S — CID 528254

IUPAC3,5-dimethyl-2-propylthiophene
SMILESCCCc1sc(C)cc1C
InChIInChI=1S/C9H14S/c1-4-5-9-7(2)6-8(3)10-9/h6H,4-5H2,1-3H3
InChIKeyAIKMKEMIIQNNSI-UHFFFAOYSA-N
MW154.28 g/mol
LogP3.32
Rot. Bonds2

About 3,5-dimethyl-2-propylthiophene

3,5-dimethyl-2-propylthiophene (PubChem CID 528254) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 3,5-dimethyl-2-propylthiophene.

Molecular Properties

Compound Name3,5-dimethyl-2-propylthiophene
PubChem CID528254
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name3,5-dimethyl-2-propylthiophene
SMILESCCCc1sc(C)cc1C
InChIInChI=1S/C9H14S/c1-4-5-9-7(2)6-8(3)10-9/h6H,4-5H2,1-3H3
InChIKeyAIKMKEMIIQNNSI-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,5-dimethyl-2-propylthiophene 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

2-Pentylthiophene
CID 20995
2-Hexylthiophene
CID 87793
2-Butylthiophene
CID 73818
2,5-Dimethylthiophene
CID 12514
2-Ethyl-5-methylthiophene
CID 520990
2-Octylthiophene
CID 70153
2,4-Dimethylthiophene
CID 34296
2-Butyl-5-ethylthiophene
CID 521504
2,3-Dimethylthiophene
CID 34295
3-Phenylthiophene
CID 75473
2-Phenylthiophene
CID 69999
2-Methylbenzo(b)thiophene
CID 70952

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-propylthiophene?
The IUPAC name of 3,5-dimethyl-2-propylthiophene (CID 528254) is 3,5-dimethyl-2-propylthiophene.
What is the SMILES notation for 3,5-dimethyl-2-propylthiophene?
The canonical SMILES for 3,5-dimethyl-2-propylthiophene is CCCc1sc(C)cc1C.
What is the InChIKey of 3,5-dimethyl-2-propylthiophene?
The InChIKey is AIKMKEMIIQNNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-4-5-9-7(2)6-8(3)10-9/h6H,4-5H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-propylthiophene?
3,5-dimethyl-2-propylthiophene has a molecular weight of 154.28 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-propylthiophene is sourced from PubChem (CID 528254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).