1H-Benzotriazole, 1-thieno(3,4-d)isothiazol-3-yl-, S(sup 1),S(sup 1)-dioxide
TL;DR: 1H-Benzotriazole, 1-thieno(3,4-d)isothiazol-3-yl-, S(sup 1),S(sup 1)-dioxide (CAS 113387-65-8) is a chemical compound with molecular formula C11H6N4O2S2 and molecular weight 289.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzotriazol-1-yl)thieno[3,4-d][1,2]thiazole 1,1-dioxide
Also Known As: 1H-Benzotriazole, 1-thieno(3,4-d)isothiazol-3-yl-, S(sup 1),S(sup 1)-dioxide, 1-Thieno(3,4-d)isothiazol-3-yl-1H-benzotriazole S(sup 1),S(sup 1)-dioxide, 3-(benzotriazol-1-yl)thieno[3,4-d][1,2]thiazole 1,1-dioxide, 3-(1H-1,2,3-Benzotriazol-1-yl)-1H-1lambda~6~-thieno[3,4-d][1,2]thiazole-1,1-dione, BRN 5975729
| Molecular Formula | C11H6N4O2S2 |
|---|---|
| Molecular Weight | 289.99 g/mol |
| LogP | 1.49 |
| Topological Polar Surface Area | 77.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 289.99323 |
| Heavy Atoms | 19 |
| Complexity | 936.42487 |
Chemical Identifiers
| CAS Number | 113387-65-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C3=NS(=O)(=O)C4=CSC=C43 |
Product Overview
1H-Benzotriazole, 1-thieno(3,4-d)isothiazol-3-yl-, S(sup 1),S(sup 1)-dioxide (CAS 113387-65-8), with molecular formula C11H6N4O2S2 and molecular weight 289.99 g/mol. IUPAC: 3-(benzotriazol-1-yl)thieno[3,4-d][1,2]thiazole 1,1-dioxide.
Chemical Property Profile of 1H-Benzotriazole, 1-thieno(3,4-d)isothiazol-3-yl-, S(sup 1),S(sup 1)-dioxide
Property Insights of 1H-Benzotriazole, 1-thieno(3,4-d)isothiazol-3-yl-, S(sup 1),S(sup 1)-dioxide
The XLogP value of 1.49 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzotriazole, 1-thieno(3,4-d)isothiazol-3-yl-, S(sup 1),S(sup 1)-dioxide. The TPSA of 77.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzotriazole, 1-thieno(3,4-d)isothiazol-3-yl-, S(sup 1),S(sup 1)-dioxide. Following Lipinski's Rule of Five, 1H-Benzotriazole, 1-thieno(3,4-d)isothiazol-3-yl-, S(sup 1),S(sup 1)-dioxide has 0 hydrogen bond donor(s) and 5 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 1H-Benzotriazole, 1-thieno(3,4-d)isothiazol-3-yl-, S(sup 1),S(sup 1)-dioxide?
The CAS number of 1H-Benzotriazole, 1-thieno(3,4-d)isothiazol-3-yl-, S(sup 1),S(sup 1)-dioxide is 113387-65-8.
What is the molecular formula of 1H-Benzotriazole, 1-thieno(3,4-d)isothiazol-3-yl-, S(sup 1),S(sup 1)-dioxide?
The molecular formula of 1H-Benzotriazole, 1-thieno(3,4-d)isothiazol-3-yl-, S(sup 1),S(sup 1)-dioxide is C11H6N4O2S2.
What is the molecular weight of 1H-Benzotriazole, 1-thieno(3,4-d)isothiazol-3-yl-, S(sup 1),S(sup 1)-dioxide?
The molecular weight of 1H-Benzotriazole, 1-thieno(3,4-d)isothiazol-3-yl-, S(sup 1),S(sup 1)-dioxide is 289.99 g/mol.
Where can I buy 1H-Benzotriazole, 1-thieno(3,4-d)isothiazol-3-yl-, S(sup 1),S(sup 1)-dioxide?
You can request a quote for 1H-Benzotriazole, 1-thieno(3,4-d)isothiazol-3-yl-, S(sup 1),S(sup 1)-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzotriazole, 1-thieno(3,4-d)isothiazol-3-yl-, S(sup 1),S(sup 1)-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzotriazole, 1-thieno(3,4-d)isothiazol-3-yl-, S(sup 1),S(sup 1)-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.