![1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium; 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate structure](/static/products/2227/22274-85-7.webp)
1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium; 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate
TL;DR: 1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium; 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate (CAS 22274-85-7) is a chemical compound with molecular formula C18H16N2OS4 and molecular weight 404.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium;2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate
Also Known As: 1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium; 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate, 1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium;2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate, 2,3-Dihydro[1,3]thiazolo[2,3-b][1,3]benzothiazol-4-ium 2-(2-oxo-1,3-benzothiazol-3(2H)-yl)ethane-1-thiolate
| Molecular Formula | C18H16N2OS4 |
|---|---|
| Molecular Weight | 404.01 g/mol |
| LogP | 3.9044 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 404.01456 |
| Heavy Atoms | 25 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 22274-85-7 |
|---|---|
| SMILES | C1CSC2=[N+]1C3=CC=CC=C3S2.C1=CC=C2C(=C1)N(C(=O)S2)CC[S-] |
| InChIKey | BSNQGKNLMGIPGQ-UHFFFAOYSA-M |
Product Overview
1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium; 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate (CAS 22274-85-7), with molecular formula C18H16N2OS4 and molecular weight 404.01 g/mol. IUPAC: 1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium;2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate.
Chemical Property Profile of 1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium; 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate
Property Insights of 1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium; 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate
The XLogP value of 3.9044 indicates that 1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium; 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium; 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate. Following Lipinski's Rule of Five, 1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium; 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate 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 1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium; 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate?
The CAS number of 1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium; 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate is 22274-85-7.
What is the molecular formula of 1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium; 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate?
The molecular formula of 1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium; 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate is C18H16N2OS4.
What is the molecular weight of 1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium; 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate?
The molecular weight of 1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium; 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate is 404.01 g/mol.
Where can I buy 1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium; 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate?
You can request a quote for 1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium; 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium; 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium; 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.