Benzothiazolium, 3-methyl-2-(methylthio)-
TL;DR: Benzothiazolium, 3-methyl-2-(methylthio)- (CAS 46045-65-2) is a chemical compound with molecular formula C9H10NS2+ and molecular weight 196.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium
Also Known As: 3-methyl-2-methylthiobenzothiazole, benzothiazolium, 3-methyl-2-(methylthio)-, 3-methyl-2-methylthio benzothiazolium, 3-Methyl-2-(methylthio)benzothiazol-1-ium, 3-Methyl-2-(methylthio)benzothiazol-3-ium
| Molecular Formula | C9H10NS2+ |
|---|---|
| Molecular Weight | 196.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.02547 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 46045-65-2 |
|---|---|
| SMILES | C[N+]1=C(SC2=CC=CC=C21)SC |
| InChIKey | IKGZOUOHCCARCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzothiazolium, 3-methyl-2-(methylthio)- (CAS 46045-65-2), with molecular formula C9H10NS2+ and molecular weight 196.03 g/mol. IUPAC: 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium.
Chemical Property Profile of Benzothiazolium, 3-methyl-2-(methylthio)-
Property Insights of Benzothiazolium, 3-methyl-2-(methylthio)-
The XLogP value of 3.4 indicates that Benzothiazolium, 3-methyl-2-(methylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.4 Ų, Benzothiazolium, 3-methyl-2-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazolium, 3-methyl-2-(methylthio)- has 0 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 Benzothiazolium, 3-methyl-2-(methylthio)-?
The CAS number of Benzothiazolium, 3-methyl-2-(methylthio)- is 46045-65-2.
What is the molecular formula of Benzothiazolium, 3-methyl-2-(methylthio)-?
The molecular formula of Benzothiazolium, 3-methyl-2-(methylthio)- is C9H10NS2+.
What is the molecular weight of Benzothiazolium, 3-methyl-2-(methylthio)-?
The molecular weight of Benzothiazolium, 3-methyl-2-(methylthio)- is 196.03 g/mol.
Where can I buy Benzothiazolium, 3-methyl-2-(methylthio)-?
You can request a quote for Benzothiazolium, 3-methyl-2-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazolium, 3-methyl-2-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazolium, 3-methyl-2-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.