Benzothiazole, 2,3-dihydro-2,2-dimethyl-
TL;DR: Benzothiazole, 2,3-dihydro-2,2-dimethyl- (CAS 29668-61-9) is a chemical compound with molecular formula C9H11NS and molecular weight 165.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-3H-1,3-benzothiazole
Also Known As: benzothiazole, 2,3-dihydro-2,2-dimethyl-, 2,2-dimethyl-3H-1,3-benzothiazole, 2,2-Dimethylbenzthiazolin, 2,2-dimethylbenzothiazoline, NCIOpen2_000705
| Molecular Formula | C9H11NS |
|---|---|
| Molecular Weight | 165.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.06122 |
| Heavy Atoms | 11 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 29668-61-9 |
|---|---|
| SMILES | CC1(NC2=CC=CC=C2S1)C |
| InChIKey | VDAZKOYYAWJGJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzothiazole, 2,3-dihydro-2,2-dimethyl- (CAS 29668-61-9), with molecular formula C9H11NS and molecular weight 165.06 g/mol. IUPAC: 2,2-dimethyl-3H-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2,3-dihydro-2,2-dimethyl-
Property Insights of Benzothiazole, 2,3-dihydro-2,2-dimethyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzothiazole, 2,3-dihydro-2,2-dimethyl-. With a topological polar surface area (TPSA) of 37.3 Ų, Benzothiazole, 2,3-dihydro-2,2-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 2,3-dihydro-2,2-dimethyl- has 1 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-dimethyl-?
The CAS number of Benzothiazole, 2,3-dihydro-2,2-dimethyl- is 29668-61-9.
What is the molecular formula of Benzothiazole, 2,3-dihydro-2,2-dimethyl-?
The molecular formula of Benzothiazole, 2,3-dihydro-2,2-dimethyl- is C9H11NS.
What is the molecular weight of Benzothiazole, 2,3-dihydro-2,2-dimethyl-?
The molecular weight of Benzothiazole, 2,3-dihydro-2,2-dimethyl- is 165.06 g/mol.
Where can I buy Benzothiazole, 2,3-dihydro-2,2-dimethyl-?
You can request a quote for Benzothiazole, 2,3-dihydro-2,2-dimethyl- 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-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2,3-dihydro-2,2-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.