2,5,7-Trimethyl-1,3-benzothiazole
TL;DR: 2,5,7-Trimethyl-1,3-benzothiazole (CAS 313502-89-5) is a chemical compound with molecular formula C10H11NS and molecular weight 177.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5,7-trimethyl-1,3-benzothiazole
Also Known As: 2,5,7-trimethyl-1,3-benzothiazole, 2,5,7-trimethylbenzothiazole, benzothiazole,2,5,7-trimethyl-, Benzothiazole, 2,5,7-trimethyl- (9CI), BENZOTHIAZOLE, 2,5,7-TRIMETHYL-
| Molecular Formula | C10H11NS |
|---|---|
| Molecular Weight | 177.06 g/mol |
| LogP | 3.22156 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.06122 |
| Heavy Atoms | 12 |
| Complexity | 428.57635 |
Chemical Identifiers
| CAS Number | 313502-89-5 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)N=C(S2)C)C |
Product Overview
2,5,7-Trimethyl-1,3-benzothiazole (CAS 313502-89-5), with molecular formula C10H11NS and molecular weight 177.06 g/mol. IUPAC: 2,5,7-trimethyl-1,3-benzothiazole.
Chemical Property Profile of 2,5,7-Trimethyl-1,3-benzothiazole
Property Insights of 2,5,7-Trimethyl-1,3-benzothiazole
The XLogP value of 3.22156 indicates that 2,5,7-Trimethyl-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 2,5,7-Trimethyl-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5,7-Trimethyl-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 2,5,7-Trimethyl-1,3-benzothiazole?
The CAS number of 2,5,7-Trimethyl-1,3-benzothiazole is 313502-89-5.
What is the molecular formula of 2,5,7-Trimethyl-1,3-benzothiazole?
The molecular formula of 2,5,7-Trimethyl-1,3-benzothiazole is C10H11NS.
What is the molecular weight of 2,5,7-Trimethyl-1,3-benzothiazole?
The molecular weight of 2,5,7-Trimethyl-1,3-benzothiazole is 177.06 g/mol.
Where can I buy 2,5,7-Trimethyl-1,3-benzothiazole?
You can request a quote for 2,5,7-Trimethyl-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 2,5,7-Trimethyl-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2,5,7-Trimethyl-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.