2-甲基-3-烯丙基苯并噻唑溴化物
TL;DR: 2-甲基-3-烯丙基苯并噻唑溴化物 (CAS 60126-31-0) is a chemical compound with molecular formula C11H12BrNS and molecular weight 268.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基-3-烯丙基苯并噻唑溴化物
2-methyl-3-prop-2-enyl-1,3-benzothiazol-3-ium bromide
Also Known As: 2-Methyl-3-prop-2-enylbenzothiazole bromide, 2-methyl-3-prop-2-enyl-benzothiazole Bromide, 2-methyl-3-prop-2-enyl-1,3-benzothiazol-3-ium bromide, 2-METHYL-3-(PROP-2-EN-1-YL)-1,3-BENZOTHIAZOL-3-IUM BROMIDE
| Molecular Formula | C11H12BrNS |
|---|---|
| Molecular Weight | 268.99 g/mol |
| LogP | -0.31278 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.98737 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 60126-31-0 |
|---|---|
| SMILES | CC1=[N+](C2=CC=CC=C2S1)CC=C.[Br-] |
| InChIKey | JRGDJPFMEACUOY-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-3-烯丙基苯并噻唑溴化物 (CAS 60126-31-0), with molecular formula C11H12BrNS and molecular weight 268.99 g/mol. IUPAC: 2-methyl-3-prop-2-enyl-1,3-benzothiazol-3-ium bromide.
Chemical Property Profile of 2-甲基-3-烯丙基苯并噻唑溴化物
Property Insights of 2-甲基-3-烯丙基苯并噻唑溴化物
The XLogP value of -0.31278 indicates that 2-甲基-3-烯丙基苯并噻唑溴化物 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, 2-甲基-3-烯丙基苯并噻唑溴化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基-3-烯丙基苯并噻唑溴化物 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 2-甲基-3-烯丙基苯并噻唑溴化物?
The CAS number of 2-甲基-3-烯丙基苯并噻唑溴化物 is 60126-31-0.
What is the molecular formula of 2-甲基-3-烯丙基苯并噻唑溴化物?
The molecular formula of 2-甲基-3-烯丙基苯并噻唑溴化物 is C11H12BrNS.
What is the molecular weight of 2-甲基-3-烯丙基苯并噻唑溴化物?
The molecular weight of 2-甲基-3-烯丙基苯并噻唑溴化物 is 268.99 g/mol.
Where can I buy 2-甲基-3-烯丙基苯并噻唑溴化物?
You can request a quote for 2-甲基-3-烯丙基苯并噻唑溴化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基-3-烯丙基苯并噻唑溴化物?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-3-烯丙基苯并噻唑溴化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.