2-(1,3-Benzothiazol-3-ium-3-yl)acetamide
TL;DR: 2-(1,3-Benzothiazol-3-ium-3-yl)acetamide (CAS 736883-05-9) is a chemical compound with molecular formula C9H9N2OS+ and molecular weight 193.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-3-ium-3-yl)acetamide
Also Known As: benzothiazolium,3-(2-amino-2-oxoethyl)-, 2-(1,3-benzothiazol-3-ium-3-yl)acetamide
| Molecular Formula | C9H9N2OS+ |
|---|---|
| Molecular Weight | 193.04 g/mol |
| LogP | 0.6741 |
| Topological Polar Surface Area | 46.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.04356 |
| Heavy Atoms | 13 |
| Complexity | 449.56635 |
Chemical Identifiers
| CAS Number | 736883-05-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)[N+](=CS2)CC(=O)N |
Product Overview
2-(1,3-Benzothiazol-3-ium-3-yl)acetamide (CAS 736883-05-9), with molecular formula C9H9N2OS+ and molecular weight 193.04 g/mol. IUPAC: 2-(1,3-benzothiazol-3-ium-3-yl)acetamide.
Chemical Property Profile of 2-(1,3-Benzothiazol-3-ium-3-yl)acetamide
Property Insights of 2-(1,3-Benzothiazol-3-ium-3-yl)acetamide
The XLogP value of 0.6741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzothiazol-3-ium-3-yl)acetamide. With a topological polar surface area (TPSA) of 46.97 Ų, 2-(1,3-Benzothiazol-3-ium-3-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-3-ium-3-yl)acetamide has 1 hydrogen bond donor(s) and 2 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-(1,3-Benzothiazol-3-ium-3-yl)acetamide?
The CAS number of 2-(1,3-Benzothiazol-3-ium-3-yl)acetamide is 736883-05-9.
What is the molecular formula of 2-(1,3-Benzothiazol-3-ium-3-yl)acetamide?
The molecular formula of 2-(1,3-Benzothiazol-3-ium-3-yl)acetamide is C9H9N2OS+.
What is the molecular weight of 2-(1,3-Benzothiazol-3-ium-3-yl)acetamide?
The molecular weight of 2-(1,3-Benzothiazol-3-ium-3-yl)acetamide is 193.04 g/mol.
Where can I buy 2-(1,3-Benzothiazol-3-ium-3-yl)acetamide?
You can request a quote for 2-(1,3-Benzothiazol-3-ium-3-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-3-ium-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-3-ium-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.