3-Methyl-2-(1-naphthalenylmethyl)benzothiazolium
TL;DR: 3-Methyl-2-(1-naphthalenylmethyl)benzothiazolium (CAS 47147-05-7) is a chemical compound with molecular formula C19H16NS+ and molecular weight 290.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(naphthalen-1-ylmethyl)-1,3-benzothiazol-3-ium
Also Known As: 3-Methyl-2-(1-naphthalenylmethyl)benzothiazolium, 3-methyl-2-(naphthalen-1-ylmethyl)benzothiazole, 3-methyl-2-(naphthalen-1-ylmethyl)-1,3-benzothiazol-3-ium, 3-Methyl-2-[(naphthalen-1-yl)methyl]-1,3-benzothiazol-3-ium
| Molecular Formula | C19H16NS+ |
|---|---|
| Molecular Weight | 290.10 g/mol |
| LogP | 4.4698 |
| Topological Polar Surface Area | 3.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.10034 |
| Heavy Atoms | 21 |
| Complexity | 931.2739 |
Chemical Identifiers
| CAS Number | 47147-05-7 |
|---|---|
| SMILES | C[N+]1=C(SC2=CC=CC=C21)CC3=CC=CC4=CC=CC=C43 |
Product Overview
3-Methyl-2-(1-naphthalenylmethyl)benzothiazolium (CAS 47147-05-7), with molecular formula C19H16NS+ and molecular weight 290.10 g/mol. IUPAC: 3-methyl-2-(naphthalen-1-ylmethyl)-1,3-benzothiazol-3-ium.
Chemical Property Profile of 3-Methyl-2-(1-naphthalenylmethyl)benzothiazolium
Property Insights of 3-Methyl-2-(1-naphthalenylmethyl)benzothiazolium
The XLogP value of 4.4698 indicates that 3-Methyl-2-(1-naphthalenylmethyl)benzothiazolium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.88 Ų, 3-Methyl-2-(1-naphthalenylmethyl)benzothiazolium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-(1-naphthalenylmethyl)benzothiazolium 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 3-Methyl-2-(1-naphthalenylmethyl)benzothiazolium?
The CAS number of 3-Methyl-2-(1-naphthalenylmethyl)benzothiazolium is 47147-05-7.
What is the molecular formula of 3-Methyl-2-(1-naphthalenylmethyl)benzothiazolium?
The molecular formula of 3-Methyl-2-(1-naphthalenylmethyl)benzothiazolium is C19H16NS+.
What is the molecular weight of 3-Methyl-2-(1-naphthalenylmethyl)benzothiazolium?
The molecular weight of 3-Methyl-2-(1-naphthalenylmethyl)benzothiazolium is 290.10 g/mol.
Where can I buy 3-Methyl-2-(1-naphthalenylmethyl)benzothiazolium?
You can request a quote for 3-Methyl-2-(1-naphthalenylmethyl)benzothiazolium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-(1-naphthalenylmethyl)benzothiazolium?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-(1-naphthalenylmethyl)benzothiazolium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.