(1,2,4)Triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione, 7-methyl-
TL;DR: (1,2,4)Triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione, 7-methyl- (CAS 42438-69-7) is a chemical compound with molecular formula C9H7N3S2 and molecular weight 221.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione
Also Known As: (1,2,4)Triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione, 7-methyl-, 7-Methyl-1,2,4-triazolo(3,4-b)benzothiazole-3(2H)-thione, 6-methyl-2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione, 7-Methyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole-3(2H)-thione, 7-Methyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione
| Molecular Formula | C9H7N3S2 |
|---|---|
| Molecular Weight | 221.01 g/mol |
| LogP | 2.91501 |
| Topological Polar Surface Area | 33.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 221.00813 |
| Heavy Atoms | 14 |
| Complexity | 674.03955 |
Chemical Identifiers
| CAS Number | 42438-69-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N3C(=S)NN=C3S2 |
Product Overview
(1,2,4)Triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione, 7-methyl- (CAS 42438-69-7), with molecular formula C9H7N3S2 and molecular weight 221.01 g/mol. IUPAC: 6-methyl-2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione.
Chemical Property Profile of (1,2,4)Triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione, 7-methyl-
Property Insights of (1,2,4)Triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione, 7-methyl-
The XLogP value of 2.91501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,2,4)Triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione, 7-methyl-. With a topological polar surface area (TPSA) of 33.09 Ų, (1,2,4)Triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione, 7-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,2,4)Triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione, 7-methyl- 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 (1,2,4)Triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione, 7-methyl-?
The CAS number of (1,2,4)Triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione, 7-methyl- is 42438-69-7.
What is the molecular formula of (1,2,4)Triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione, 7-methyl-?
The molecular formula of (1,2,4)Triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione, 7-methyl- is C9H7N3S2.
What is the molecular weight of (1,2,4)Triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione, 7-methyl-?
The molecular weight of (1,2,4)Triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione, 7-methyl- is 221.01 g/mol.
Where can I buy (1,2,4)Triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione, 7-methyl-?
You can request a quote for (1,2,4)Triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione, 7-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,2,4)Triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione, 7-methyl-?
Yes, KEHONG BIO provides custom synthesis services for (1,2,4)Triazolo(3,4-b)(1,3)benzothiazole-3(2H)-thione, 7-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.