s-Triazolo(3,4-b)benzothiazole-3-thiol
TL;DR: s-Triazolo(3,4-b)benzothiazole-3-thiol (CAS 6973-29-1) is a chemical compound with molecular formula C8H5N3S2 and molecular weight 206.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione
Also Known As: s-Triazolo(3,4-b)benzothiazole-3-thiol, NCIOpen2_002936, benzo[4,5]thiazolo[2,3-c][1,2,4]triazole-3-thiol, 2H-Benzo[4,5]thiazolo[2,3-c][1,2,4]triazole-3-thione, 1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione
| Molecular Formula | C8H5N3S2 |
|---|---|
| Molecular Weight | 206.99 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.9925 |
| Heavy Atoms | 13 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 6973-29-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=S)NN=C3S2 |
| InChIKey | QTXZICUYCJDYLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
s-Triazolo(3,4-b)benzothiazole-3-thiol (CAS 6973-29-1), with molecular formula C8H5N3S2 and molecular weight 206.99 g/mol. IUPAC: 2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione.
Chemical Property Profile of s-Triazolo(3,4-b)benzothiazole-3-thiol
Property Insights of s-Triazolo(3,4-b)benzothiazole-3-thiol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for s-Triazolo(3,4-b)benzothiazole-3-thiol. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for s-Triazolo(3,4-b)benzothiazole-3-thiol. Following Lipinski's Rule of Five, s-Triazolo(3,4-b)benzothiazole-3-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 s-Triazolo(3,4-b)benzothiazole-3-thiol?
The CAS number of s-Triazolo(3,4-b)benzothiazole-3-thiol is 6973-29-1.
What is the molecular formula of s-Triazolo(3,4-b)benzothiazole-3-thiol?
The molecular formula of s-Triazolo(3,4-b)benzothiazole-3-thiol is C8H5N3S2.
What is the molecular weight of s-Triazolo(3,4-b)benzothiazole-3-thiol?
The molecular weight of s-Triazolo(3,4-b)benzothiazole-3-thiol is 206.99 g/mol.
Where can I buy s-Triazolo(3,4-b)benzothiazole-3-thiol?
You can request a quote for s-Triazolo(3,4-b)benzothiazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Triazolo(3,4-b)benzothiazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for s-Triazolo(3,4-b)benzothiazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.