benzothiazolium, 3-(3-sulfopropyl)-2-((3-sulfopropyl)thio)-, inner salt
TL;DR: benzothiazolium, 3-(3-sulfopropyl)-2-((3-sulfopropyl)thio)-, inner salt (CAS 110208-16-7) is a chemical compound with molecular formula C13H17NO6S4 and molecular weight 410.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3-sulfopropylsulfanyl)-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
Also Known As: BAS 00032153, 3-[2-(3-sulfopropylthio)benzothiazol-3-yl]propanesulfonic acid, Benzothiazolium, 3-(3-sulfopropyl)-2-[(3-sulfopropyl)thio]-, inner salt, Benzothiazolium, 3-(3-sulfopropyl)-2-((3-sulfopropyl)thio)-, inner salt, 3-[2-(3-sulfopropylsulfanyl)-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
| Molecular Formula | C13H17NO6S4 |
|---|---|
| Molecular Weight | 410.99 g/mol |
| LogP | 1.4941 |
| Topological Polar Surface Area | 115.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.99387 |
| Heavy Atoms | 24 |
| Complexity | 903.6849 |
Chemical Identifiers
| CAS Number | 110208-16-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)[N+](=C(S2)SCCCS(=O)(=O)O)CCCS(=O)(=O)[O-] |
Product Overview
benzothiazolium, 3-(3-sulfopropyl)-2-((3-sulfopropyl)thio)-, inner salt (CAS 110208-16-7), with molecular formula C13H17NO6S4 and molecular weight 410.99 g/mol. IUPAC: 3-[2-(3-sulfopropylsulfanyl)-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate.
Chemical Property Profile of benzothiazolium, 3-(3-sulfopropyl)-2-((3-sulfopropyl)thio)-, inner salt
Property Insights of benzothiazolium, 3-(3-sulfopropyl)-2-((3-sulfopropyl)thio)-, inner salt
The XLogP value of 1.4941 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzothiazolium, 3-(3-sulfopropyl)-2-((3-sulfopropyl)thio)-, inner salt. The TPSA of 115.45 Ų falls within the moderate polarity range, balancing permeability and solubility for benzothiazolium, 3-(3-sulfopropyl)-2-((3-sulfopropyl)thio)-, inner salt. Following Lipinski's Rule of Five, benzothiazolium, 3-(3-sulfopropyl)-2-((3-sulfopropyl)thio)-, inner salt has 1 hydrogen bond donor(s) and 7 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 benzothiazolium, 3-(3-sulfopropyl)-2-((3-sulfopropyl)thio)-, inner salt?
The CAS number of benzothiazolium, 3-(3-sulfopropyl)-2-((3-sulfopropyl)thio)-, inner salt is 110208-16-7.
What is the molecular formula of benzothiazolium, 3-(3-sulfopropyl)-2-((3-sulfopropyl)thio)-, inner salt?
The molecular formula of benzothiazolium, 3-(3-sulfopropyl)-2-((3-sulfopropyl)thio)-, inner salt is C13H17NO6S4.
What is the molecular weight of benzothiazolium, 3-(3-sulfopropyl)-2-((3-sulfopropyl)thio)-, inner salt?
The molecular weight of benzothiazolium, 3-(3-sulfopropyl)-2-((3-sulfopropyl)thio)-, inner salt is 410.99 g/mol.
Where can I buy benzothiazolium, 3-(3-sulfopropyl)-2-((3-sulfopropyl)thio)-, inner salt?
You can request a quote for benzothiazolium, 3-(3-sulfopropyl)-2-((3-sulfopropyl)thio)-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzothiazolium, 3-(3-sulfopropyl)-2-((3-sulfopropyl)thio)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for benzothiazolium, 3-(3-sulfopropyl)-2-((3-sulfopropyl)thio)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.