3-Hexylthiophene
TL;DR: 3-Hexylthiophene (CAS 17010-70-7) is a chemical compound with molecular formula C10H16S and molecular weight 168.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hexylthiophene
Also Known As: 3-Hexylthiophene, 3-n-Hexylthiophene, null, 4-hexylthiophene, Thiophene, 3-hexyl-
| Molecular Formula | C10H16S |
|---|---|
| Molecular Weight | 168.10 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.09727 |
| Heavy Atoms | 11 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 17010-70-7 |
|---|---|
| SMILES | CCCCCCC1=CSC=C1 |
| InChIKey | JEDHEMYZURJGRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hexylthiophene (CAS 17010-70-7), with molecular formula C10H16S and molecular weight 168.10 g/mol. IUPAC: 3-hexylthiophene.
Chemical Property Profile of 3-Hexylthiophene
Property Insights of 3-Hexylthiophene
The XLogP value of 5.0 indicates that 3-Hexylthiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 3-Hexylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hexylthiophene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Hexylthiophene?
The CAS number of 3-Hexylthiophene is 17010-70-7.
What is the molecular formula of 3-Hexylthiophene?
The molecular formula of 3-Hexylthiophene is C10H16S.
What is the molecular weight of 3-Hexylthiophene?
The molecular weight of 3-Hexylthiophene is 168.10 g/mol.
Where can I buy 3-Hexylthiophene?
You can request a quote for 3-Hexylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hexylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.