2-Chloro-3-methylbenzothiazolium trifluoromethanesulphonate
TL;DR: 2-Chloro-3-methylbenzothiazolium trifluoromethanesulphonate (CAS 61765-15-9) is a chemical compound with molecular formula C9H7ClF3NO3S2 and molecular weight 332.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-methyl-1,3-benzothiazol-3-ium;trifluoromethanesulfonate
Also Known As: 2-Chloro-3-methylbenzothiazolium trifluoromethanesulphonate, EINECS 262-964-0, 2-chloro-3-methyl-1,3-benzothiazol-3-ium;trifluoromethanesulfonate, 2-chloro-3-methyl-1,3-benzothiazol-3-ium trifluoromethanesulfonate, 2-chloro-3-methyl-1,3-benzothiazol-3-ium,trifluoromethanesulfonate
| Molecular Formula | C9H7ClF3NO3S2 |
|---|---|
| Molecular Weight | 332.95 g/mol |
| LogP | 2.4306 |
| Topological Polar Surface Area | 61.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 332.9508 |
| Heavy Atoms | 19 |
| Complexity | 681.56494 |
Chemical Identifiers
| CAS Number | 61765-15-9 |
|---|---|
| SMILES | C[N+]1=C(SC2=CC=CC=C21)Cl.C(F)(F)(F)S(=O)(=O)[O-] |
Product Overview
2-Chloro-3-methylbenzothiazolium trifluoromethanesulphonate (CAS 61765-15-9), with molecular formula C9H7ClF3NO3S2 and molecular weight 332.95 g/mol. IUPAC: 2-chloro-3-methyl-1,3-benzothiazol-3-ium;trifluoromethanesulfonate.
Chemical Property Profile of 2-Chloro-3-methylbenzothiazolium trifluoromethanesulphonate
Property Insights of 2-Chloro-3-methylbenzothiazolium trifluoromethanesulphonate
The XLogP value of 2.4306 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-methylbenzothiazolium trifluoromethanesulphonate. The TPSA of 61.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-3-methylbenzothiazolium trifluoromethanesulphonate. Following Lipinski's Rule of Five, 2-Chloro-3-methylbenzothiazolium trifluoromethanesulphonate has 0 hydrogen bond donor(s) and 4 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 2-Chloro-3-methylbenzothiazolium trifluoromethanesulphonate?
The CAS number of 2-Chloro-3-methylbenzothiazolium trifluoromethanesulphonate is 61765-15-9.
What is the molecular formula of 2-Chloro-3-methylbenzothiazolium trifluoromethanesulphonate?
The molecular formula of 2-Chloro-3-methylbenzothiazolium trifluoromethanesulphonate is C9H7ClF3NO3S2.
What is the molecular weight of 2-Chloro-3-methylbenzothiazolium trifluoromethanesulphonate?
The molecular weight of 2-Chloro-3-methylbenzothiazolium trifluoromethanesulphonate is 332.95 g/mol.
Where can I buy 2-Chloro-3-methylbenzothiazolium trifluoromethanesulphonate?
You can request a quote for 2-Chloro-3-methylbenzothiazolium trifluoromethanesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-methylbenzothiazolium trifluoromethanesulphonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-methylbenzothiazolium trifluoromethanesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.