Benzothiazole, 4-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-
TL;DR: Benzothiazole, 4-(1,1-dimethylethyl)-4,5,6,7-tetrahydro- (CAS 96963-11-0) is a chemical compound with molecular formula C11H17NS and molecular weight 195.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole
Also Known As: 4-t-Butylcyclohexathiazole, Benzothiazole, 4-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-, 4-tert-Butyl-4,5,6,7-tetrahydro-1,3-benzothiazole, 4-tert-Butyl-4,5,6,7-tetrahydro-1,3-benzothiazole #, Benzothiazole,4-(1,1-dimethylethyl)-4,5,6,7-tetrahydro
| Molecular Formula | C11H17NS |
|---|---|
| Molecular Weight | 195.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.10817 |
| Heavy Atoms | 13 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 96963-11-0 |
|---|---|
| SMILES | CC(C)(C)C1CCCC2=C1N=CS2 |
| InChIKey | NTCPMMVQHYCJKA-UHFFFAOYSA-N |
Product Overview
Benzothiazole, 4-(1,1-dimethylethyl)-4,5,6,7-tetrahydro- (CAS 96963-11-0), with molecular formula C11H17NS and molecular weight 195.11 g/mol. IUPAC: 4-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 4-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-
Property Insights of Benzothiazole, 4-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-
The XLogP value of 3.6 indicates that Benzothiazole, 4-(1,1-dimethylethyl)-4,5,6,7-tetrahydro- 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, 4-(1,1-dimethylethyl)-4,5,6,7-tetrahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 4-(1,1-dimethylethyl)-4,5,6,7-tetrahydro- 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, 4-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-?
The CAS number of Benzothiazole, 4-(1,1-dimethylethyl)-4,5,6,7-tetrahydro- is 96963-11-0.
What is the molecular formula of Benzothiazole, 4-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-?
The molecular formula of Benzothiazole, 4-(1,1-dimethylethyl)-4,5,6,7-tetrahydro- is C11H17NS.
What is the molecular weight of Benzothiazole, 4-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-?
The molecular weight of Benzothiazole, 4-(1,1-dimethylethyl)-4,5,6,7-tetrahydro- is 195.11 g/mol.
Where can I buy Benzothiazole, 4-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-?
You can request a quote for Benzothiazole, 4-(1,1-dimethylethyl)-4,5,6,7-tetrahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 4-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 4-(1,1-dimethylethyl)-4,5,6,7-tetrahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.