2H-Thiopyran, 3-hexyltetrahydro-, 1-oxide
TL;DR: 2H-Thiopyran, 3-hexyltetrahydro-, 1-oxide (CAS 61639-15-4) is a chemical compound with molecular formula C11H22OS and molecular weight 202.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hexylthiane 1-oxide
Also Known As: 3-hexylthiane 1-oxide, 3-n-Hexylthiane,S-oxide, 3-Hexyl-1lambda~4~-thian-1-one, 2H-Thiopyran, 3-hexyltetrahydro-, 1-oxide, 3-Hexyltetrahydro-2H-thiopyran 1-oxide
| Molecular Formula | C11H22OS |
|---|---|
| Molecular Weight | 202.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 202.13913 |
| Heavy Atoms | 13 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 61639-15-4 |
|---|---|
| SMILES | CCCCCCC1CCCS(=O)C1 |
| InChIKey | IKBDTSMJSXHJDB-UHFFFAOYSA-N |
Product Overview
2H-Thiopyran, 3-hexyltetrahydro-, 1-oxide (CAS 61639-15-4), with molecular formula C11H22OS and molecular weight 202.14 g/mol. IUPAC: 3-hexylthiane 1-oxide.
Chemical Property Profile of 2H-Thiopyran, 3-hexyltetrahydro-, 1-oxide
Property Insights of 2H-Thiopyran, 3-hexyltetrahydro-, 1-oxide
The XLogP value of 3.1 indicates that 2H-Thiopyran, 3-hexyltetrahydro-, 1-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.3 Ų, 2H-Thiopyran, 3-hexyltetrahydro-, 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Thiopyran, 3-hexyltetrahydro-, 1-oxide has 0 hydrogen bond donor(s) and 2 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 2H-Thiopyran, 3-hexyltetrahydro-, 1-oxide?
The CAS number of 2H-Thiopyran, 3-hexyltetrahydro-, 1-oxide is 61639-15-4.
What is the molecular formula of 2H-Thiopyran, 3-hexyltetrahydro-, 1-oxide?
The molecular formula of 2H-Thiopyran, 3-hexyltetrahydro-, 1-oxide is C11H22OS.
What is the molecular weight of 2H-Thiopyran, 3-hexyltetrahydro-, 1-oxide?
The molecular weight of 2H-Thiopyran, 3-hexyltetrahydro-, 1-oxide is 202.14 g/mol.
Where can I buy 2H-Thiopyran, 3-hexyltetrahydro-, 1-oxide?
You can request a quote for 2H-Thiopyran, 3-hexyltetrahydro-, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Thiopyran, 3-hexyltetrahydro-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2H-Thiopyran, 3-hexyltetrahydro-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.