Benzothiazole, 2,3-dihydro-2,2,3-trimethyl-
TL;DR: Benzothiazole, 2,3-dihydro-2,2,3-trimethyl- (CAS 2786-37-0) is a chemical compound with molecular formula C10H13NS and molecular weight 179.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3-trimethyl-1,3-benzothiazole
Also Known As: benzothiazole, 2,3-dihydro-2,2,3-trimethyl-, 2,2,3-trimethyl-2,3-dihydro-1,3-benzothiazole, Benzothiazoline, 2,2,3-trimethyl-, 2,2,3-trimethyl-1,3-benzothiazole, 2,2,3-Trimethyl-2,3-dihydrobenzothiazole
| Molecular Formula | C10H13NS |
|---|---|
| Molecular Weight | 179.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.07687 |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 2786-37-0 |
|---|---|
| SMILES | CC1(N(C2=CC=CC=C2S1)C)C |
| InChIKey | ODZISWCHQQOYGL-UHFFFAOYSA-N |
Product Overview
Benzothiazole, 2,3-dihydro-2,2,3-trimethyl- (CAS 2786-37-0), with molecular formula C10H13NS and molecular weight 179.08 g/mol. IUPAC: 2,2,3-trimethyl-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2,3-dihydro-2,2,3-trimethyl-
Property Insights of Benzothiazole, 2,3-dihydro-2,2,3-trimethyl-
The XLogP value of 3.0 indicates that Benzothiazole, 2,3-dihydro-2,2,3-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.5 Ų, Benzothiazole, 2,3-dihydro-2,2,3-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 2,3-dihydro-2,2,3-trimethyl- 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, 2,3-dihydro-2,2,3-trimethyl-?
The CAS number of Benzothiazole, 2,3-dihydro-2,2,3-trimethyl- is 2786-37-0.
What is the molecular formula of Benzothiazole, 2,3-dihydro-2,2,3-trimethyl-?
The molecular formula of Benzothiazole, 2,3-dihydro-2,2,3-trimethyl- is C10H13NS.
What is the molecular weight of Benzothiazole, 2,3-dihydro-2,2,3-trimethyl-?
The molecular weight of Benzothiazole, 2,3-dihydro-2,2,3-trimethyl- is 179.08 g/mol.
Where can I buy Benzothiazole, 2,3-dihydro-2,2,3-trimethyl-?
You can request a quote for Benzothiazole, 2,3-dihydro-2,2,3-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2,3-dihydro-2,2,3-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2,3-dihydro-2,2,3-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.