![2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide structure](/static/products/736/736157-02-1.png)
2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide
TL;DR: 2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide (CAS 736157-02-1) is a chemical compound with molecular formula C9H4F3N3O4S2 and molecular weight 338.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-3-oxido-5-(trifluoromethylsulfanyl)-1,3-benzothiazol-3-ium-2-carboxamide
Also Known As: Cyclapolin 1, nchembio825-comp1, J2.603.730A, 2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide, 2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-3-oxide
| Molecular Formula | C9H4F3N3O4S2 |
|---|---|
| Molecular Weight | 338.96 g/mol |
| LogP | 2.1537 |
| Topological Polar Surface Area | 113.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.95953 |
| Heavy Atoms | 21 |
| Complexity | 758.75635 |
Chemical Identifiers
| CAS Number | 736157-02-1 |
|---|---|
| SMILES | C1=C(C=C(C2=C1[N+](=C(S2)C(=O)N)[O-])[N+](=O)[O-])SC(F)(F)F |
Product Overview
2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide (CAS 736157-02-1), with molecular formula C9H4F3N3O4S2 and molecular weight 338.96 g/mol. IUPAC: 7-nitro-3-oxido-5-(trifluoromethylsulfanyl)-1,3-benzothiazol-3-ium-2-carboxamide.
Chemical Property Profile of 2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide
Property Insights of 2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide
The XLogP value of 2.1537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide. The TPSA of 113.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide. Following Lipinski's Rule of Five, 2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide has 1 hydrogen bond donor(s) and 6 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 2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide?
The CAS number of 2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide is 736157-02-1.
What is the molecular formula of 2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide?
The molecular formula of 2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide is C9H4F3N3O4S2.
What is the molecular weight of 2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide?
The molecular weight of 2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide is 338.96 g/mol.
Where can I buy 2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide?
You can request a quote for 2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzothiazolecarboxamide, 7-nitro-5-[(trifluoromethyl)thio]-, 3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.