6-Methyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine;hydrobromide
TL;DR: 6-Methyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine;hydrobromide (CAS 466683-22-7) is a chemical compound with molecular formula C11H11BrN2S and molecular weight 281.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine;hydrobromide
Also Known As: 2-amino-6-methyl-3-(prop-2-yn-1-yl)benzo[d]thiazol-3-ium bromide, 6-methyl-3-prop-2-ynyl-benzothiazol-2-imine Hydrobromide, 6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine hydrobromide, 6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine;hydrobromide
| Molecular Formula | C11H11BrN2S |
|---|---|
| Molecular Weight | 281.98 g/mol |
| LogP | 2.70179 |
| Topological Polar Surface Area | 28.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.98264 |
| Heavy Atoms | 15 |
| Complexity | 574.2659 |
Chemical Identifiers
| CAS Number | 466683-22-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(=N)S2)CC#C.Br |
Product Overview
6-Methyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine;hydrobromide (CAS 466683-22-7), with molecular formula C11H11BrN2S and molecular weight 281.98 g/mol. IUPAC: 6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine;hydrobromide.
Chemical Property Profile of 6-Methyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine;hydrobromide
Property Insights of 6-Methyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine;hydrobromide
The XLogP value of 2.70179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine;hydrobromide. With a topological polar surface area (TPSA) of 28.78 Ų, 6-Methyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine;hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine;hydrobromide has 1 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 6-Methyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine;hydrobromide?
The CAS number of 6-Methyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine;hydrobromide is 466683-22-7.
What is the molecular formula of 6-Methyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine;hydrobromide?
The molecular formula of 6-Methyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine;hydrobromide is C11H11BrN2S.
What is the molecular weight of 6-Methyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine;hydrobromide?
The molecular weight of 6-Methyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine;hydrobromide is 281.98 g/mol.
Where can I buy 6-Methyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine;hydrobromide?
You can request a quote for 6-Methyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine;hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine;hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-3-prop-2-ynyl-1,3-benzothiazol-2-imine;hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.