四氢-5-辛基-1,3,5-三嗪-2-硫醇
TL;DR: 四氢-5-辛基-1,3,5-三嗪-2-硫醇 (CAS 29381-58-6) is a chemical compound with molecular formula C11H23N3S and molecular weight 229.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
四氢-5-辛基-1,3,5-三嗪-2-硫醇
(2S)-5-octyl-2,6-dihydro-1H-1,3,5-triazine-2-thiol
Also Known As: s-Triazine-2-thiol, tetrahydro-5-octyl-, Tetrahydro-5-octyl-1,3,5-triazine-2-thiol, 1,3,5-Triazine-2-thiol, tetrahydro-5-octyl-, (2s)-5-octyl-1,2,5,6-tetrahydro-1,3,5-triazine-2-thiol, 5-octyl-2,6-dihydro-1H-1,3,5-triazine-2-thiol
| Molecular Formula | C11H23N3S |
|---|---|
| Molecular Weight | 229.16 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 28.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 229.16127 |
| Heavy Atoms | 15 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 29381-58-6 |
|---|---|
| SMILES | CCCCCCCCN1CN[C@@H](N=C1)S |
| InChIKey | WTMGBBOINJPJMV-LLVKDONJSA-N |
Product Overview
四氢-5-辛基-1,3,5-三嗪-2-硫醇 (CAS 29381-58-6), with molecular formula C11H23N3S and molecular weight 229.16 g/mol. IUPAC: (2S)-5-octyl-2,6-dihydro-1H-1,3,5-triazine-2-thiol.
Chemical Property Profile of 四氢-5-辛基-1,3,5-三嗪-2-硫醇
Property Insights of 四氢-5-辛基-1,3,5-三嗪-2-硫醇
The XLogP value of 3.0 indicates that 四氢-5-辛基-1,3,5-三嗪-2-硫醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.6 Ų, 四氢-5-辛基-1,3,5-三嗪-2-硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 四氢-5-辛基-1,3,5-三嗪-2-硫醇 has 2 hydrogen bond donor(s) and 3 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 四氢-5-辛基-1,3,5-三嗪-2-硫醇?
The CAS number of 四氢-5-辛基-1,3,5-三嗪-2-硫醇 is 29381-58-6.
What is the molecular formula of 四氢-5-辛基-1,3,5-三嗪-2-硫醇?
The molecular formula of 四氢-5-辛基-1,3,5-三嗪-2-硫醇 is C11H23N3S.
What is the molecular weight of 四氢-5-辛基-1,3,5-三嗪-2-硫醇?
The molecular weight of 四氢-5-辛基-1,3,5-三嗪-2-硫醇 is 229.16 g/mol.
Where can I buy 四氢-5-辛基-1,3,5-三嗪-2-硫醇?
You can request a quote for 四氢-5-辛基-1,3,5-三嗪-2-硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 四氢-5-辛基-1,3,5-三嗪-2-硫醇?
Yes, KEHONG BIO provides custom synthesis services for 四氢-5-辛基-1,3,5-三嗪-2-硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.