N-Allylbenzothiazolium Bromide
TL;DR: N-Allylbenzothiazolium Bromide (CAS 16407-55-9) is a chemical compound with molecular formula C10H10BrNS and molecular weight 254.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enyl-1,3-benzothiazol-3-ium bromide
Also Known As: N-Allylbenzothiazolium Bromide, 3-Allylbenzo[d]thiazol-3-ium bromide, N-AllylbenzothiazoliumBromide, 3-Allylbenzothiazolium bromide, 3-allyl-benzothiazolium,bromide
| Molecular Formula | C10H10BrNS |
|---|---|
| Molecular Weight | 254.97 g/mol |
| LogP | -0.6212 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.97173 |
| Heavy Atoms | 13 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 16407-55-9 |
|---|---|
| SMILES | C=CC[N+]1=CSC2=CC=CC=C21.[Br-] |
| InChIKey | MEYXQRPXVJWXBZ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Allylbenzothiazolium Bromide (CAS 16407-55-9), with molecular formula C10H10BrNS and molecular weight 254.97 g/mol. IUPAC: 3-prop-2-enyl-1,3-benzothiazol-3-ium bromide.
Chemical Property Profile of N-Allylbenzothiazolium Bromide
Property Insights of N-Allylbenzothiazolium Bromide
The XLogP value of -0.6212 indicates that N-Allylbenzothiazolium Bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.1 Ų, N-Allylbenzothiazolium Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Allylbenzothiazolium Bromide 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 N-Allylbenzothiazolium Bromide?
The CAS number of N-Allylbenzothiazolium Bromide is 16407-55-9.
What is the molecular formula of N-Allylbenzothiazolium Bromide?
The molecular formula of N-Allylbenzothiazolium Bromide is C10H10BrNS.
What is the molecular weight of N-Allylbenzothiazolium Bromide?
The molecular weight of N-Allylbenzothiazolium Bromide is 254.97 g/mol.
Where can I buy N-Allylbenzothiazolium Bromide?
You can request a quote for N-Allylbenzothiazolium Bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Allylbenzothiazolium Bromide?
Yes, KEHONG BIO provides custom synthesis services for N-Allylbenzothiazolium Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.