2-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazole
TL;DR: 2-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazole (CAS 852694-88-3) is a chemical compound with molecular formula C9H7N5S and molecular weight 217.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazole
Also Known As: Maybridge1_003744, 2-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazole, 2-((2H-tetrazol-5-yl)methyl)benzo[d]thiazole, 2-(1H-tetrazol-5-ylmethyl)-1,3-benzothiazole, 2-(1H-Tetraazol-5-ylmethyl)-1,3-benzothiazole
| Molecular Formula | C9H7N5S |
|---|---|
| Molecular Weight | 217.04 g/mol |
| LogP | 1.4002 |
| Topological Polar Surface Area | 67.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.04222 |
| Heavy Atoms | 15 |
| Complexity | 537.98486 |
Chemical Identifiers
| CAS Number | 852694-88-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)CC3=NNN=N3 |
Product Overview
2-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazole (CAS 852694-88-3), with molecular formula C9H7N5S and molecular weight 217.04 g/mol. IUPAC: 2-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazole.
Chemical Property Profile of 2-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazole
Property Insights of 2-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazole
The XLogP value of 1.4002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazole. The TPSA of 67.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazole. Following Lipinski's Rule of Five, 2-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazole has 1 hydrogen bond donor(s) and 5 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-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazole?
The CAS number of 2-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazole is 852694-88-3.
What is the molecular formula of 2-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazole?
The molecular formula of 2-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazole is C9H7N5S.
What is the molecular weight of 2-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazole?
The molecular weight of 2-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazole is 217.04 g/mol.
Where can I buy 2-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazole?
You can request a quote for 2-(2H-tetrazol-5-ylmethyl)-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-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.