4,4,6-Trimethyl-1,3-thiazinane-2-thione
TL;DR: 4,4,6-Trimethyl-1,3-thiazinane-2-thione (CAS 79696-63-2) is a chemical compound with molecular formula C7H13NS2 and molecular weight 175.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,6-trimethyl-1,3-thiazinane-2-thione
Also Known As: 4,4,6-Trimethyl-1,3-thiazinane-2-thione, 4,4,6-Trimethyl-1,3-thiazinane-2-thione #, 4,4,6-Trimethyltetrahydro-1,3-thiazine-2-thione, 4,4,6-Trimethyltetrahydro-2H-1,3-thiazine-2-thione
| Molecular Formula | C7H13NS2 |
|---|---|
| Molecular Weight | 175.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.04893 |
| Heavy Atoms | 10 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 79696-63-2 |
|---|---|
| SMILES | CC1CC(NC(=S)S1)(C)C |
| InChIKey | KHBARPADEJDEFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4,6-Trimethyl-1,3-thiazinane-2-thione (CAS 79696-63-2), with molecular formula C7H13NS2 and molecular weight 175.05 g/mol. IUPAC: 4,4,6-trimethyl-1,3-thiazinane-2-thione.
Chemical Property Profile of 4,4,6-Trimethyl-1,3-thiazinane-2-thione
Property Insights of 4,4,6-Trimethyl-1,3-thiazinane-2-thione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,6-Trimethyl-1,3-thiazinane-2-thione. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4,6-Trimethyl-1,3-thiazinane-2-thione. Following Lipinski's Rule of Five, 4,4,6-Trimethyl-1,3-thiazinane-2-thione 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 4,4,6-Trimethyl-1,3-thiazinane-2-thione?
The CAS number of 4,4,6-Trimethyl-1,3-thiazinane-2-thione is 79696-63-2.
What is the molecular formula of 4,4,6-Trimethyl-1,3-thiazinane-2-thione?
The molecular formula of 4,4,6-Trimethyl-1,3-thiazinane-2-thione is C7H13NS2.
What is the molecular weight of 4,4,6-Trimethyl-1,3-thiazinane-2-thione?
The molecular weight of 4,4,6-Trimethyl-1,3-thiazinane-2-thione is 175.05 g/mol.
Where can I buy 4,4,6-Trimethyl-1,3-thiazinane-2-thione?
You can request a quote for 4,4,6-Trimethyl-1,3-thiazinane-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,6-Trimethyl-1,3-thiazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 4,4,6-Trimethyl-1,3-thiazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.