4-Chloro-3-methyl-1,3-benzothiazol-3-ium
TL;DR: 4-Chloro-3-methyl-1,3-benzothiazol-3-ium (CAS 89059-30-3) is a chemical compound with molecular formula C8H7ClNS+ and molecular weight 184.00 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
Also Known As: 4-chloro-3-methyl-benzothiazole, benzothiazolium,4-chloro-3-methyl-, 4-chloro-3-methyl-1,3-benzothiazol-3-ium
| Molecular Formula | C8H7ClNS+ |
|---|---|
| Molecular Weight | 184.00 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.99878 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 89059-30-3 |
|---|---|
| SMILES | C[N+]1=CSC2=C1C(=CC=C2)Cl |
| InChIKey | NTVBGUFEGHFETQ-UHFFFAOYSA-N |
Product Overview
4-Chloro-3-methyl-1,3-benzothiazol-3-ium (CAS 89059-30-3), with molecular formula C8H7ClNS+ and molecular weight 184.00 g/mol. IUPAC: 4-chloro-3-methyl-1,3-benzothiazol-3-ium.
Chemical Property Profile of 4-Chloro-3-methyl-1,3-benzothiazol-3-ium
Property Insights of 4-Chloro-3-methyl-1,3-benzothiazol-3-ium
The XLogP value of 3.1 indicates that 4-Chloro-3-methyl-1,3-benzothiazol-3-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.1 Ų, 4-Chloro-3-methyl-1,3-benzothiazol-3-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-methyl-1,3-benzothiazol-3-ium has 0 hydrogen bond donor(s) and 1 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 4-Chloro-3-methyl-1,3-benzothiazol-3-ium?
The CAS number of 4-Chloro-3-methyl-1,3-benzothiazol-3-ium is 89059-30-3.
What is the molecular formula of 4-Chloro-3-methyl-1,3-benzothiazol-3-ium?
The molecular formula of 4-Chloro-3-methyl-1,3-benzothiazol-3-ium is C8H7ClNS+.
What is the molecular weight of 4-Chloro-3-methyl-1,3-benzothiazol-3-ium?
The molecular weight of 4-Chloro-3-methyl-1,3-benzothiazol-3-ium is 184.00 g/mol.
Where can I buy 4-Chloro-3-methyl-1,3-benzothiazol-3-ium?
You can request a quote for 4-Chloro-3-methyl-1,3-benzothiazol-3-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-methyl-1,3-benzothiazol-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-methyl-1,3-benzothiazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.