6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazole
TL;DR: 6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazole (CAS 96963-10-9) is a chemical compound with molecular formula C8H11NS and molecular weight 153.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole
Also Known As: 6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazole, 6-Methylcyclohexathiazole, Benzothiazole, 4,5,6,7-tetrahydro-6-methyl-, Benzothiazole,4,5,6,7-tetrahydro-6-methyl-, 6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazole #
| Molecular Formula | C8H11NS |
|---|---|
| Molecular Weight | 153.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.06122 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 96963-10-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC=N2 |
| InChIKey | OSAVKXRNTRCRJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazole (CAS 96963-10-9), with molecular formula C8H11NS and molecular weight 153.06 g/mol. IUPAC: 6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole.
Chemical Property Profile of 6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazole
Property Insights of 6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazole. With a topological polar surface area (TPSA) of 41.1 Ų, 6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazole 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 6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazole?
The CAS number of 6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazole is 96963-10-9.
What is the molecular formula of 6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazole?
The molecular formula of 6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazole is C8H11NS.
What is the molecular weight of 6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazole?
The molecular weight of 6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazole is 153.06 g/mol.
Where can I buy 6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazole?
You can request a quote for 6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.