2-Pentylthiapyran
TL;DR: 2-Pentylthiapyran (CAS 161748-65-8) 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.
2-pentyl-2H-thiopyran
Also Known As: 2-pentylthiapyran, 2-pentyl-2H-thiopyran, 2-pentyl-2H-thiapyran, Thiopyran, 2-pentyl-, 2-Pentyl-2H-thiapyrane
| Molecular Formula | C10H16S |
|---|---|
| Molecular Weight | 168.10 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.09727 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 161748-65-8 |
|---|---|
| SMILES | CCCCCC1C=CC=CS1 |
| InChIKey | WIWJPSVDDXGSQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Pentylthiapyran (CAS 161748-65-8), with molecular formula C10H16S and molecular weight 168.10 g/mol. IUPAC: 2-pentyl-2H-thiopyran.
Chemical Property Profile of 2-Pentylthiapyran
Property Insights of 2-Pentylthiapyran
The XLogP value of 4.0 indicates that 2-Pentylthiapyran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 2-Pentylthiapyran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentylthiapyran 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 2-Pentylthiapyran?
The CAS number of 2-Pentylthiapyran is 161748-65-8.
What is the molecular formula of 2-Pentylthiapyran?
The molecular formula of 2-Pentylthiapyran is C10H16S.
What is the molecular weight of 2-Pentylthiapyran?
The molecular weight of 2-Pentylthiapyran is 168.10 g/mol.
Where can I buy 2-Pentylthiapyran?
You can request a quote for 2-Pentylthiapyran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentylthiapyran?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentylthiapyran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.