2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1)
TL;DR: 2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1) (CAS 79128-40-8) is a chemical compound with molecular formula C9H20ClNS and molecular weight 209.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pentan-2-yl-1,3-thiazinane;hydrochloride
Also Known As: 2-pentan-2-yl-1,3-thiazinane,hydrochloride, 2-(1-Methylbutyl)-tetrahydro-2H-1,3-thiazine hydrochloride, 2-pentan-2-yl-1,3-thiazinane hydrochloride, 2H-1,3-Thiazine, tetrahydro-2-(1-methylbutyl)-, hydrochloride, 2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1)
| Molecular Formula | C9H20ClNS |
|---|---|
| Molecular Weight | 209.10 g/mol |
| LogP | 2.897 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.1005 |
| Heavy Atoms | 12 |
| Complexity | 104.70166 |
Chemical Identifiers
| CAS Number | 79128-40-8 |
|---|---|
| SMILES | CCCC(C)C1NCCCS1.Cl |
Product Overview
2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1) (CAS 79128-40-8), with molecular formula C9H20ClNS and molecular weight 209.10 g/mol. IUPAC: 2-pentan-2-yl-1,3-thiazinane;hydrochloride.
Chemical Property Profile of 2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1)
Property Insights of 2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1)
The XLogP value of 2.897 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 12.03 Ų, 2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1) has 1 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 2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1)?
The CAS number of 2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1) is 79128-40-8.
What is the molecular formula of 2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1)?
The molecular formula of 2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1) is C9H20ClNS.
What is the molecular weight of 2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1)?
The molecular weight of 2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1) is 209.10 g/mol.
Where can I buy 2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1)?
You can request a quote for 2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.