![5-Benzotriazol-1-ylmethyl-[1,3,4]oxadiazole-2-thiol structure](/static/products/1367/136715-68-9.webp)
5-Benzotriazol-1-ylmethyl-[1,3,4]oxadiazole-2-thiol
TL;DR: 5-Benzotriazol-1-ylmethyl-[1,3,4]oxadiazole-2-thiol (CAS 136715-68-9) is a chemical compound with molecular formula C9H7N5OS and molecular weight 233.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzotriazol-1-ylmethyl)-3H-1,3,4-oxadiazole-2-thione
Also Known As: Maybridge4_001896, BAS 02054744, 5-Benzotriazol-1-ylmethyl-[1,3,4]oxadiazole-2-thiol, 5-(benzotriazolylmethyl)-1,3,4-oxadiazole-2-thiol, BRD-K67115492-001-01-4
| Molecular Formula | C9H7N5OS |
|---|---|
| Molecular Weight | 233.04 g/mol |
| LogP | 1.52519 |
| Topological Polar Surface Area | 72.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.03712 |
| Heavy Atoms | 16 |
| Complexity | 682.08374 |
Chemical Identifiers
| CAS Number | 136715-68-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CC3=NNC(=S)O3 |
Product Overview
5-Benzotriazol-1-ylmethyl-[1,3,4]oxadiazole-2-thiol (CAS 136715-68-9), with molecular formula C9H7N5OS and molecular weight 233.04 g/mol. IUPAC: 5-(benzotriazol-1-ylmethyl)-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-Benzotriazol-1-ylmethyl-[1,3,4]oxadiazole-2-thiol
Property Insights of 5-Benzotriazol-1-ylmethyl-[1,3,4]oxadiazole-2-thiol
The XLogP value of 1.52519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzotriazol-1-ylmethyl-[1,3,4]oxadiazole-2-thiol. The TPSA of 72.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzotriazol-1-ylmethyl-[1,3,4]oxadiazole-2-thiol. Following Lipinski's Rule of Five, 5-Benzotriazol-1-ylmethyl-[1,3,4]oxadiazole-2-thiol 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 5-Benzotriazol-1-ylmethyl-[1,3,4]oxadiazole-2-thiol?
The CAS number of 5-Benzotriazol-1-ylmethyl-[1,3,4]oxadiazole-2-thiol is 136715-68-9.
What is the molecular formula of 5-Benzotriazol-1-ylmethyl-[1,3,4]oxadiazole-2-thiol?
The molecular formula of 5-Benzotriazol-1-ylmethyl-[1,3,4]oxadiazole-2-thiol is C9H7N5OS.
What is the molecular weight of 5-Benzotriazol-1-ylmethyl-[1,3,4]oxadiazole-2-thiol?
The molecular weight of 5-Benzotriazol-1-ylmethyl-[1,3,4]oxadiazole-2-thiol is 233.04 g/mol.
Where can I buy 5-Benzotriazol-1-ylmethyl-[1,3,4]oxadiazole-2-thiol?
You can request a quote for 5-Benzotriazol-1-ylmethyl-[1,3,4]oxadiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzotriazol-1-ylmethyl-[1,3,4]oxadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzotriazol-1-ylmethyl-[1,3,4]oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.