2-Hexylthiirane
TL;DR: 2-Hexylthiirane (CAS 5633-78-3) is a chemical compound with molecular formula C8H16S and molecular weight 144.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexylthiirane
Also Known As: 2-Hexylthiirane, Thiirane, hexyl-, Hexylthiirane, 1,2-Epithiooctane, Thiirane, 2-hexyl-
| Molecular Formula | C8H16S |
|---|---|
| Molecular Weight | 144.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.09727 |
| Heavy Atoms | 9 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 5633-78-3 |
|---|---|
| SMILES | CCCCCCC1CS1 |
| InChIKey | FUCNFCAABRZCTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hexylthiirane (CAS 5633-78-3), with molecular formula C8H16S and molecular weight 144.10 g/mol. IUPAC: 2-hexylthiirane.
Chemical Property Profile of 2-Hexylthiirane
Property Insights of 2-Hexylthiirane
The XLogP value of 3.6 indicates that 2-Hexylthiirane 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-Hexylthiirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexylthiirane 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-Hexylthiirane?
The CAS number of 2-Hexylthiirane is 5633-78-3.
What is the molecular formula of 2-Hexylthiirane?
The molecular formula of 2-Hexylthiirane is C8H16S.
What is the molecular weight of 2-Hexylthiirane?
The molecular weight of 2-Hexylthiirane is 144.10 g/mol.
Where can I buy 2-Hexylthiirane?
You can request a quote for 2-Hexylthiirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexylthiirane?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexylthiirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.