3-(Carboxymethyl)benzothiazolium
TL;DR: 3-(Carboxymethyl)benzothiazolium (CAS 74385-09-4) is a chemical compound with molecular formula C9H8NO2S+ and molecular weight 194.03 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)acetic acid
Also Known As: 3-(Carboxymethyl)benzothiazolium, 2-benzothiazol-3-ylacetic Acid, 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid, 3-(CARBOXYMETHYL)-1,3-BENZOTHIAZOL-3-IUM
| Molecular Formula | C9H8NO2S+ |
|---|---|
| Molecular Weight | 194.03 g/mol |
| LogP | 1.2734 |
| Topological Polar Surface Area | 41.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.02757 |
| Heavy Atoms | 13 |
| Complexity | 449.56635 |
Chemical Identifiers
| CAS Number | 74385-09-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)[N+](=CS2)CC(=O)O |
Product Overview
3-(Carboxymethyl)benzothiazolium (CAS 74385-09-4), with molecular formula C9H8NO2S+ and molecular weight 194.03 g/mol. IUPAC: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid.
Chemical Property Profile of 3-(Carboxymethyl)benzothiazolium
Property Insights of 3-(Carboxymethyl)benzothiazolium
The XLogP value of 1.2734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Carboxymethyl)benzothiazolium. With a topological polar surface area (TPSA) of 41.18 Ų, 3-(Carboxymethyl)benzothiazolium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Carboxymethyl)benzothiazolium 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 3-(Carboxymethyl)benzothiazolium?
The CAS number of 3-(Carboxymethyl)benzothiazolium is 74385-09-4.
What is the molecular formula of 3-(Carboxymethyl)benzothiazolium?
The molecular formula of 3-(Carboxymethyl)benzothiazolium is C9H8NO2S+.
What is the molecular weight of 3-(Carboxymethyl)benzothiazolium?
The molecular weight of 3-(Carboxymethyl)benzothiazolium is 194.03 g/mol.
Where can I buy 3-(Carboxymethyl)benzothiazolium?
You can request a quote for 3-(Carboxymethyl)benzothiazolium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Carboxymethyl)benzothiazolium?
Yes, KEHONG BIO provides custom synthesis services for 3-(Carboxymethyl)benzothiazolium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.