Benzothiazole, 2-(t-butyl)dithio-
TL;DR: Benzothiazole, 2-(t-butyl)dithio- (CAS 27657-22-3) is a chemical compound with molecular formula C11H13NS3 and molecular weight 255.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(tert-butyldisulfanyl)-1,3-benzothiazole
Also Known As: Benzothiazole, 2-(t-butyl)dithio-, 2-(tert-butyldisulfanyl)benzothiazole, 2-(t-butyldisulfanyl)benzothiazole, 2-(tert-butyldisulfanyl)-1,3-benzothiazole, (Benzothiazol-2-yl)tert-butyl persulfide
| Molecular Formula | C11H13NS3 |
|---|---|
| Molecular Weight | 255.02 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.02101 |
| Heavy Atoms | 15 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 27657-22-3 |
|---|---|
| SMILES | CC(C)(C)SSC1=NC2=CC=CC=C2S1 |
| InChIKey | UTUXRLDNBUFMLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzothiazole, 2-(t-butyl)dithio- (CAS 27657-22-3), with molecular formula C11H13NS3 and molecular weight 255.02 g/mol. IUPAC: 2-(tert-butyldisulfanyl)-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2-(t-butyl)dithio-
Property Insights of Benzothiazole, 2-(t-butyl)dithio-
The XLogP value of 4.1 indicates that Benzothiazole, 2-(t-butyl)dithio- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazole, 2-(t-butyl)dithio-. Following Lipinski's Rule of Five, Benzothiazole, 2-(t-butyl)dithio- has 0 hydrogen bond donor(s) and 4 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-(t-butyl)dithio-?
The CAS number of Benzothiazole, 2-(t-butyl)dithio- is 27657-22-3.
What is the molecular formula of Benzothiazole, 2-(t-butyl)dithio-?
The molecular formula of Benzothiazole, 2-(t-butyl)dithio- is C11H13NS3.
What is the molecular weight of Benzothiazole, 2-(t-butyl)dithio-?
The molecular weight of Benzothiazole, 2-(t-butyl)dithio- is 255.02 g/mol.
Where can I buy Benzothiazole, 2-(t-butyl)dithio-?
You can request a quote for Benzothiazole, 2-(t-butyl)dithio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2-(t-butyl)dithio-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2-(t-butyl)dithio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.