3-propan-2-ylthiophene

C7H10S — CID 520437

IUPAC3-propan-2-ylthiophene
SMILESCC(C)c1ccsc1
InChIInChI=1S/C7H10S/c1-6(2)7-3-4-8-5-7/h3-6H,1-2H3
InChIKeyLJPDBPCGTFTUDE-UHFFFAOYSA-N
MW126.22 g/mol
LogP2.87
Rot. Bonds1

About 3-propan-2-ylthiophene

3-propan-2-ylthiophene (PubChem CID 520437) has the molecular formula C7H10S and a molecular weight of 126.22 g/mol. Its IUPAC name is 3-propan-2-ylthiophene.

Molecular Properties

Compound Name3-propan-2-ylthiophene
PubChem CID520437
Molecular FormulaC7H10S
Molecular Weight126.22 g/mol
Exact Mass126.05
IUPAC Name3-propan-2-ylthiophene
SMILESCC(C)c1ccsc1
InChIInChI=1S/C7H10S/c1-6(2)7-3-4-8-5-7/h3-6H,1-2H3
InChIKeyLJPDBPCGTFTUDE-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-propan-2-ylthiophene 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

2,4-Dimethylthiophene
CID 34296
3-Ethylthiophene
CID 74530
2,3-Dimethylthiophene
CID 34295
3-Butylthiophene
CID 566339
3,4-Diethylthiophene
CID 520753
Thiophene, 2-(1-methylethyl)-
CID 138113
3-Hexadecylthiophene
CID 2769638
3-Propylthiophene
CID 519073
3-(4-Methylpent-3-enyl)thiophene
CID 566107
3-Hexylthiophene
CID 566849
3-Octylthiophene
CID 566852
3-Pentylthiophene
CID 15345429

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylthiophene?
The IUPAC name of 3-propan-2-ylthiophene (CID 520437) is 3-propan-2-ylthiophene.
What is the SMILES notation for 3-propan-2-ylthiophene?
The canonical SMILES for 3-propan-2-ylthiophene is CC(C)c1ccsc1.
What is the InChIKey of 3-propan-2-ylthiophene?
The InChIKey is LJPDBPCGTFTUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S/c1-6(2)7-3-4-8-5-7/h3-6H,1-2H3.
What are the key properties of 3-propan-2-ylthiophene?
3-propan-2-ylthiophene has a molecular weight of 126.22 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylthiophene is sourced from PubChem (CID 520437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).