![1-Methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole structure](/static/products/4052/40527-79-5.webp)
1-Methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
TL;DR: 1-Methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole (CAS 40527-79-5) 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.
1-methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Also Known As: ChemDiv2_003883, DivK1c_005612, CDS1_004572, IDI1_002598, BIM-0030348.P001
| Molecular Formula | C9H7N3S2 |
|---|---|
| Molecular Weight | 221.01 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.00813 |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 40527-79-5 |
|---|---|
| SMILES | CSC1=NN=C2N1C3=CC=CC=C3S2 |
| InChIKey | CBORUMKHTLMDNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole (CAS 40527-79-5), with molecular formula C9H7N3S2 and molecular weight 221.01 g/mol. IUPAC: 1-methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole.
Chemical Property Profile of 1-Methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Property Insights of 1-Methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
The XLogP value of 3.5 indicates that 1-Methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole. Following Lipinski's Rule of Five, 1-Methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole has 0 hydrogen bond donor(s) and 4 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-Methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The CAS number of 1-Methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole is 40527-79-5.
What is the molecular formula of 1-Methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The molecular formula of 1-Methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole is C9H7N3S2.
What is the molecular weight of 1-Methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The molecular weight of 1-Methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole is 221.01 g/mol.
Where can I buy 1-Methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
You can request a quote for 1-Methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.