Benzothiazolium, 3-butyl-2-methyl-, iodide
TL;DR: Benzothiazolium, 3-butyl-2-methyl-, iodide (CAS 27086-49-3) is a chemical compound with molecular formula C12H16INS and molecular weight 333.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-2-methyl-1,3-benzothiazol-3-ium iodide
Also Known As: Benzothiazolium, 3-butyl-2-methyl-, iodide, 3-butyl-2-methylbenzo[d]thiazol-3-ium iodide, 3-butyl-2-methyl-1,3-benzothiazol-3-ium iodide, 3-butyl-2-methyl-benzothiazole Iodide, 3-butyl-2-methyl-1,3-benzothiazol-3-ium;iodide
| Molecular Formula | C12H16INS |
|---|---|
| Molecular Weight | 333.00 g/mol |
| LogP | 0.30132 |
| Topological Polar Surface Area | 3.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.00482 |
| Heavy Atoms | 15 |
| Complexity | 436.11478 |
Chemical Identifiers
| CAS Number | 27086-49-3 |
|---|---|
| SMILES | CCCC[N+]1=C(SC2=CC=CC=C21)C.[I-] |
Product Overview
Benzothiazolium, 3-butyl-2-methyl-, iodide (CAS 27086-49-3), with molecular formula C12H16INS and molecular weight 333.00 g/mol. IUPAC: 3-butyl-2-methyl-1,3-benzothiazol-3-ium iodide.
Chemical Property Profile of Benzothiazolium, 3-butyl-2-methyl-, iodide
Property Insights of Benzothiazolium, 3-butyl-2-methyl-, iodide
The XLogP value of 0.30132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzothiazolium, 3-butyl-2-methyl-, iodide. With a topological polar surface area (TPSA) of 3.88 Ų, Benzothiazolium, 3-butyl-2-methyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazolium, 3-butyl-2-methyl-, iodide 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 Benzothiazolium, 3-butyl-2-methyl-, iodide?
The CAS number of Benzothiazolium, 3-butyl-2-methyl-, iodide is 27086-49-3.
What is the molecular formula of Benzothiazolium, 3-butyl-2-methyl-, iodide?
The molecular formula of Benzothiazolium, 3-butyl-2-methyl-, iodide is C12H16INS.
What is the molecular weight of Benzothiazolium, 3-butyl-2-methyl-, iodide?
The molecular weight of Benzothiazolium, 3-butyl-2-methyl-, iodide is 333.00 g/mol.
Where can I buy Benzothiazolium, 3-butyl-2-methyl-, iodide?
You can request a quote for Benzothiazolium, 3-butyl-2-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, 3-butyl-2-methyl-, iodide?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazolium, 3-butyl-2-methyl-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.