5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione
TL;DR: 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione (CAS 68925-81-5) is a chemical compound with molecular formula C10H9N3S2 and molecular weight 235.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dimethyl-2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione
Also Known As: 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione, 6,8-dimethyl-2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione, 5,7-Dimethyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole-3(2H)-thione, 1,2,4-TRIAZOLO(3,4-B)BENZOTHIAZOLE-3(2H)-THIONE, 5,7-DIMETHYL-, 5,7-DIMETHYL-1,2,4-TRIAZOLO(3,4-B)BENZOTHIAZOLE-3(2H)-THIONE
| Molecular Formula | C10H9N3S2 |
|---|---|
| Molecular Weight | 235.02 g/mol |
| LogP | 3.22343 |
| Topological Polar Surface Area | 33.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.02379 |
| Heavy Atoms | 15 |
| Complexity | 717.24066 |
Chemical Identifiers
| CAS Number | 68925-81-5 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)SC3=NNC(=S)N23)C |
Product Overview
5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione (CAS 68925-81-5), with molecular formula C10H9N3S2 and molecular weight 235.02 g/mol. IUPAC: 6,8-dimethyl-2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione.
Chemical Property Profile of 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione
Property Insights of 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione
The XLogP value of 3.22343 indicates that 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.09 Ų, 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione 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 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione?
The CAS number of 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione is 68925-81-5.
What is the molecular formula of 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione?
The molecular formula of 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione is C10H9N3S2.
What is the molecular weight of 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione?
The molecular weight of 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione is 235.02 g/mol.
Where can I buy 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione?
You can request a quote for 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.