2-hexyl-5-thiophen-2-ylthiophene

C14H18S2 — CID 15363594

IUPAC2-hexyl-5-thiophen-2-ylthiophene
SMILESCCCCCCc1ccc(-c2cccs2)s1
InChIInChI=1S/C14H18S2/c1-2-3-4-5-7-12-9-10-14(16-12)13-8-6-11-15-13/h6,8-11H,2-5,7H2,1H3
InChIKeyNUONHINJVGHSCL-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.60
Rot. Bonds6

About 2-hexyl-5-thiophen-2-ylthiophene

2-hexyl-5-thiophen-2-ylthiophene (PubChem CID 15363594) has the molecular formula C14H18S2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-hexyl-5-thiophen-2-ylthiophene.

Molecular Properties

Compound Name2-hexyl-5-thiophen-2-ylthiophene
PubChem CID15363594
Molecular FormulaC14H18S2
Molecular Weight250.43 g/mol
Exact Mass250.08
IUPAC Name2-hexyl-5-thiophen-2-ylthiophene
SMILESCCCCCCc1ccc(-c2cccs2)s1
InChIInChI=1S/C14H18S2/c1-2-3-4-5-7-12-9-10-14(16-12)13-8-6-11-15-13/h6,8-11H,2-5,7H2,1H3
InChIKeyNUONHINJVGHSCL-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hexyl-5-thiophen-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

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-5-thiophen-2-ylthiophene?
The IUPAC name of 2-hexyl-5-thiophen-2-ylthiophene (CID 15363594) is 2-hexyl-5-thiophen-2-ylthiophene.
What is the SMILES notation for 2-hexyl-5-thiophen-2-ylthiophene?
The canonical SMILES for 2-hexyl-5-thiophen-2-ylthiophene is CCCCCCc1ccc(-c2cccs2)s1.
What is the InChIKey of 2-hexyl-5-thiophen-2-ylthiophene?
The InChIKey is NUONHINJVGHSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18S2/c1-2-3-4-5-7-12-9-10-14(16-12)13-8-6-11-15-13/h6,8-11H,2-5,7H2,1H3.
What are the key properties of 2-hexyl-5-thiophen-2-ylthiophene?
2-hexyl-5-thiophen-2-ylthiophene has a molecular weight of 250.43 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-5-thiophen-2-ylthiophene is sourced from PubChem (CID 15363594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).