Benzothiazolium, 4-chloro-3-methyl-, iodide
TL;DR: Benzothiazolium, 4-chloro-3-methyl-, iodide (CAS 87910-65-4) is a chemical compound with molecular formula C8H7ClINS and molecular weight 310.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-methyl-1,3-benzothiazol-3-ium iodide
Also Known As: Benzothiazolium, 4-chloro-3-methyl-, iodide, 4-chloro-3-methyl-1,3-benzothiazol-3-ium iodide
| Molecular Formula | C8H7ClINS |
|---|---|
| Molecular Weight | 310.90 g/mol |
| LogP | -0.6168 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 310.90326 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 87910-65-4 |
|---|---|
| SMILES | C[N+]1=CSC2=C1C(=CC=C2)Cl.[I-] |
| InChIKey | YETIGQZEYVOXIP-UHFFFAOYSA-M |
Product Overview
Benzothiazolium, 4-chloro-3-methyl-, iodide (CAS 87910-65-4), with molecular formula C8H7ClINS and molecular weight 310.90 g/mol. IUPAC: 4-chloro-3-methyl-1,3-benzothiazol-3-ium iodide.
Chemical Property Profile of Benzothiazolium, 4-chloro-3-methyl-, iodide
Property Insights of Benzothiazolium, 4-chloro-3-methyl-, iodide
The XLogP value of -0.6168 indicates that Benzothiazolium, 4-chloro-3-methyl-, iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.1 Ų, Benzothiazolium, 4-chloro-3-methyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazolium, 4-chloro-3-methyl-, iodide 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, 4-chloro-3-methyl-, iodide?
The CAS number of Benzothiazolium, 4-chloro-3-methyl-, iodide is 87910-65-4.
What is the molecular formula of Benzothiazolium, 4-chloro-3-methyl-, iodide?
The molecular formula of Benzothiazolium, 4-chloro-3-methyl-, iodide is C8H7ClINS.
What is the molecular weight of Benzothiazolium, 4-chloro-3-methyl-, iodide?
The molecular weight of Benzothiazolium, 4-chloro-3-methyl-, iodide is 310.90 g/mol.
Where can I buy Benzothiazolium, 4-chloro-3-methyl-, iodide?
You can request a quote for Benzothiazolium, 4-chloro-3-methyl-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazolium, 4-chloro-3-methyl-, iodide?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazolium, 4-chloro-3-methyl-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.