5-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazole-2-thiol
TL;DR: 5-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazole-2-thiol (CAS 120423-45-2) is a chemical compound with molecular formula C10H8N2O3S and molecular weight 236.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazole-2-thiol, 5-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-[1,3,4]oxadiazole-2-thiol, 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-1,3,4-oxadiazole-2-thione, 5-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-1,3,4-oxadiazole-2-thiol, 5-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazole-2(3H)-thione
| Molecular Formula | C10H8N2O3S |
|---|---|
| Molecular Weight | 236.03 g/mol |
| LogP | 2.24469 |
| Topological Polar Surface Area | 60.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.02556 |
| Heavy Atoms | 16 |
| Complexity | 562.94183 |
Chemical Identifiers
| CAS Number | 120423-45-2 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)C3=NNC(=S)O3 |
Product Overview
5-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazole-2-thiol (CAS 120423-45-2), with molecular formula C10H8N2O3S and molecular weight 236.03 g/mol. IUPAC: 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazole-2-thiol
Property Insights of 5-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazole-2-thiol
The XLogP value of 2.24469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazole-2-thiol. The TPSA of 60.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazole-2-thiol. Following Lipinski's Rule of Five, 5-(2,3-Dihydro-1,4-benzodioxin-2-yl)-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-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazole-2-thiol?
The CAS number of 5-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazole-2-thiol is 120423-45-2.
What is the molecular formula of 5-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazole-2-thiol?
The molecular formula of 5-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazole-2-thiol is C10H8N2O3S.
What is the molecular weight of 5-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazole-2-thiol?
The molecular weight of 5-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazole-2-thiol is 236.03 g/mol.
Where can I buy 5-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazole-2-thiol?
You can request a quote for 5-(2,3-Dihydro-1,4-benzodioxin-2-yl)-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-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.