2-pentylthiophene

C9H14S — CID 20995

IUPAC2-pentylthiophene
SMILESCCCCCc1cccs1
InChIInChI=1S/C9H14S/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
InChIKeyNOYVOSGVFSEKPR-UHFFFAOYSA-N
MW154.28 g/mol
LogP3.48
Rot. Bonds4

About 2-pentylthiophene

2-pentylthiophene (PubChem CID 20995) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 2-pentylthiophene.

Molecular Properties

Compound Name2-pentylthiophene
PubChem CID20995
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name2-pentylthiophene
SMILESCCCCCc1cccs1
InChIInChI=1S/C9H14S/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
InChIKeyNOYVOSGVFSEKPR-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-pentylthiophene 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

2,2':5',2''-Terthiophene
CID 65067
2-Methylthiophene
CID 11126
Thenyl mercaptan
CID 80408
2-Ethylthiophene
CID 13388
3-Mercapto-2-methylthiophene
CID 75664
2-Hexylthiophene
CID 87793
2-Butylthiophene
CID 73818
2,5-Dimethylthiophene
CID 12514
2-Octylthiophene
CID 70153
5-(3-Buten-1-ynyl)-2,2'-bithienyl
CID 70813
2-Ethyl-5-methylthiophene
CID 520990
2,4-Dimethylthiophene
CID 34296

Frequently Asked Questions

What is the IUPAC name of 2-pentylthiophene?
The IUPAC name of 2-pentylthiophene (CID 20995) is 2-pentylthiophene.
What is the SMILES notation for 2-pentylthiophene?
The canonical SMILES for 2-pentylthiophene is CCCCCc1cccs1.
What is the InChIKey of 2-pentylthiophene?
The InChIKey is NOYVOSGVFSEKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 2-pentylthiophene?
2-pentylthiophene has a molecular weight of 154.28 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylthiophene is sourced from PubChem (CID 20995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).