![Benzothiazole, 2-[(trimethylsilyl)ethynyl]- structure](/static/products/2200/220079-65-2.webp)
Benzothiazole, 2-[(trimethylsilyl)ethynyl]-
TL;DR: Benzothiazole, 2-[(trimethylsilyl)ethynyl]- (CAS 220079-65-2) is a chemical compound with molecular formula C12H13NSSi and molecular weight 231.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)ethynyl-trimethylsilane
Also Known As: 2-(Trimethylsilylethynyl)benzothiazole, 2-[(Trimethylsilyl)ethynyl]benzothiazole, benzothiazole, 2-[(trimethylsilyl)ethynyl]-, 2-(2-trimethylsilylethynyl)-1,3-benzothiazole, 2-((trimethylsilyl)ethynyl)benzo[d]thiazole
| Molecular Formula | C12H13NSSi |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 3.5252 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.0538 |
| Heavy Atoms | 15 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 220079-65-2 |
|---|---|
| SMILES | C[Si](C)(C)C#CC1=NC2=CC=CC=C2S1 |
| InChIKey | JVKMYWKENUJOKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzothiazole, 2-[(trimethylsilyl)ethynyl]- (CAS 220079-65-2), with molecular formula C12H13NSSi and molecular weight 231.05 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)ethynyl-trimethylsilane.
Chemical Property Profile of Benzothiazole, 2-[(trimethylsilyl)ethynyl]-
Property Insights of Benzothiazole, 2-[(trimethylsilyl)ethynyl]-
The XLogP value of 3.5252 indicates that Benzothiazole, 2-[(trimethylsilyl)ethynyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, Benzothiazole, 2-[(trimethylsilyl)ethynyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 2-[(trimethylsilyl)ethynyl]- 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 Benzothiazole, 2-[(trimethylsilyl)ethynyl]-?
The CAS number of Benzothiazole, 2-[(trimethylsilyl)ethynyl]- is 220079-65-2.
What is the molecular formula of Benzothiazole, 2-[(trimethylsilyl)ethynyl]-?
The molecular formula of Benzothiazole, 2-[(trimethylsilyl)ethynyl]- is C12H13NSSi.
What is the molecular weight of Benzothiazole, 2-[(trimethylsilyl)ethynyl]-?
The molecular weight of Benzothiazole, 2-[(trimethylsilyl)ethynyl]- is 231.05 g/mol.
Where can I buy Benzothiazole, 2-[(trimethylsilyl)ethynyl]-?
You can request a quote for Benzothiazole, 2-[(trimethylsilyl)ethynyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2-[(trimethylsilyl)ethynyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2-[(trimethylsilyl)ethynyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.