3-Ethyl-2-(2-methoxy-1-propen-1-yl)benzothiazolium
TL;DR: 3-Ethyl-2-(2-methoxy-1-propen-1-yl)benzothiazolium (CAS 76154-65-9) is a chemical compound with molecular formula C13H16NOS+ and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-(2-methoxyprop-1-enyl)-1,3-benzothiazol-3-ium
Also Known As: BAS 00009466, 3-Ethyl-2-(2-methoxy-1-propen-1-yl)benzothiazolium, 3-ethyl-2-(2-methoxyprop-1-enyl)-1,3-benzothiazol-3-ium, 3-Ethyl-2-(2-methoxyprop-1-en-1-yl)-1,3-benzothiazol-3-ium
| Molecular Formula | C13H16NOS+ |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 3.2159 |
| Topological Polar Surface Area | 13.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.09526 |
| Heavy Atoms | 16 |
| Complexity | 527.71216 |
Chemical Identifiers
| CAS Number | 76154-65-9 |
|---|---|
| SMILES | CC[N+]1=C(SC2=CC=CC=C21)C=C(C)OC |
Product Overview
3-Ethyl-2-(2-methoxy-1-propen-1-yl)benzothiazolium (CAS 76154-65-9), with molecular formula C13H16NOS+ and molecular weight 234.10 g/mol. IUPAC: 3-ethyl-2-(2-methoxyprop-1-enyl)-1,3-benzothiazol-3-ium.
Chemical Property Profile of 3-Ethyl-2-(2-methoxy-1-propen-1-yl)benzothiazolium
Property Insights of 3-Ethyl-2-(2-methoxy-1-propen-1-yl)benzothiazolium
The XLogP value of 3.2159 indicates that 3-Ethyl-2-(2-methoxy-1-propen-1-yl)benzothiazolium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.11 Ų, 3-Ethyl-2-(2-methoxy-1-propen-1-yl)benzothiazolium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-2-(2-methoxy-1-propen-1-yl)benzothiazolium 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 3-Ethyl-2-(2-methoxy-1-propen-1-yl)benzothiazolium?
The CAS number of 3-Ethyl-2-(2-methoxy-1-propen-1-yl)benzothiazolium is 76154-65-9.
What is the molecular formula of 3-Ethyl-2-(2-methoxy-1-propen-1-yl)benzothiazolium?
The molecular formula of 3-Ethyl-2-(2-methoxy-1-propen-1-yl)benzothiazolium is C13H16NOS+.
What is the molecular weight of 3-Ethyl-2-(2-methoxy-1-propen-1-yl)benzothiazolium?
The molecular weight of 3-Ethyl-2-(2-methoxy-1-propen-1-yl)benzothiazolium is 234.10 g/mol.
Where can I buy 3-Ethyl-2-(2-methoxy-1-propen-1-yl)benzothiazolium?
You can request a quote for 3-Ethyl-2-(2-methoxy-1-propen-1-yl)benzothiazolium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-2-(2-methoxy-1-propen-1-yl)benzothiazolium?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-2-(2-methoxy-1-propen-1-yl)benzothiazolium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.