Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1)
TL;DR: Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1) (CAS 63815-84-9) is a chemical compound with molecular formula C14H17ClINS2 and molecular weight 424.95358 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-3-ethyl-2-(2-methylsulfanylbut-1-enyl)-1,3-benzothiazol-3-ium iodide
Also Known As: Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-butenyl)-, iodide, Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1), Benzothiazolium, 5-chloro-3-ethyl-2-[2-(methylthio)-1-buten-1-yl]-, iodide (1:1), Benzothiazolium, 5-chloro-3-ethyl-2-[2-(methylthio)-1-butenyl]-, iodide, 5-chloro-3-ethyl-2-(2-methylsulfanylbut-1-enyl)-1,3-benzothiazol-3-ium iodide
Technical Specifications
| Molecular Formula | C14H17ClINS2 |
| Molecular Weight | 424.95358 g/mol |
| XLogP | 1.98 |
| Topological Polar Surface Area (TPSA) | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.95358 Da |
| Heavy Atoms | 19 |
| Complexity | 308.0 |
| SMILES | CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CC)SC.[I-] |
| InChIKey | MUJFEWAQSGBSRT-UHFFFAOYSA-M |
Product Description
Applications: Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1) is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1) is a fine chemical identified by CAS number 63815-84-9 and the molecular formula C14H17ClINS2 and a molecular weight of 424.95 g/mol. Synonyms include Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-butenyl)-, iodide and Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1).
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1)
Property Insights of Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1)
The XLogP value of 1.98 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1). With a topological polar surface area (TPSA) of 57.4 Ų, Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1) has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1)?
The CAS number of Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1) is 63815-84-9.
What is the molecular formula of Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1)?
The molecular formula of Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1) is C14H17ClINS2.
What is the molecular weight of Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1)?
The molecular weight of Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1) is 424.95358 g/mol.
What are the applications of Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1)?
Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1) is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton...
Where can I buy Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1)?
You can request a quote for Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1)?
Yes, CoreyChem provides custom synthesis services for Benzothiazolium, 5-chloro-3-ethyl-2-(2-(methylthio)-1-buten-1-yl)-, iodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.