5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol
TL;DR: 5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol (CAS 17374-22-0) is a chemical compound with molecular formula C11H12N2S2 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethyl-4-phenyl-3H-1,3,4-thiadiazine-2-thione
Also Known As: 5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol, TimTec1_001990, 5,6-dimethyl-4-phenyl-3H-1,3,4-thiadiazine-2-thione, BAS 04849824, 5,6-dimethyl-4-phenyl-1,3,4-thiadiazine-2-thiol
| Molecular Formula | C11H12N2S2 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.04419 |
| Heavy Atoms | 15 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 17374-22-0 |
|---|---|
| SMILES | CC1=C(SC(=S)NN1C2=CC=CC=C2)C |
| InChIKey | VDDABKUUDWBHFW-UHFFFAOYSA-N |
Product Overview
5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol (CAS 17374-22-0), with molecular formula C11H12N2S2 and molecular weight 236.04 g/mol. IUPAC: 5,6-dimethyl-4-phenyl-3H-1,3,4-thiadiazine-2-thione.
Chemical Property Profile of 5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol
Property Insights of 5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol
The XLogP value of 3.6 indicates that 5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol. Following Lipinski's Rule of Five, 5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol has 1 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 5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol?
The CAS number of 5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol is 17374-22-0.
What is the molecular formula of 5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol?
The molecular formula of 5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol is C11H12N2S2.
What is the molecular weight of 5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol?
The molecular weight of 5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol is 236.04 g/mol.
Where can I buy 5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol?
You can request a quote for 5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5,6-dimethyl-4-phenyl-4H-1,3,4-thiadiazine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.