1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-tetrazole-5-thiol
TL;DR: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-tetrazole-5-thiol (CAS 460362-91-8) is a chemical compound with molecular formula C9H8N4O2S and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-tetrazole-5-thione
Also Known As: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-tetrazole-5-thiol, ASN 04456072, 1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-1H-tetrazole-5-thiol, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-tetrazole-5-thione, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3,4-tetrazole-5-thiol
| Molecular Formula | C9H8N4O2S |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 1.09609 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.0368 |
| Heavy Atoms | 16 |
| Complexity | 576.8831 |
Chemical Identifiers
| CAS Number | 460362-91-8 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)N3C(=S)N=NN3 |
Product Overview
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-tetrazole-5-thiol (CAS 460362-91-8), with molecular formula C9H8N4O2S and molecular weight 236.04 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-tetrazole-5-thione.
Chemical Property Profile of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-tetrazole-5-thiol
Property Insights of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-tetrazole-5-thiol
The XLogP value of 1.09609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-tetrazole-5-thiol. The TPSA of 64.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-tetrazole-5-thiol. Following Lipinski's Rule of Five, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-tetrazole-5-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 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-tetrazole-5-thiol?
The CAS number of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-tetrazole-5-thiol is 460362-91-8.
What is the molecular formula of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-tetrazole-5-thiol?
The molecular formula of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-tetrazole-5-thiol is C9H8N4O2S.
What is the molecular weight of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-tetrazole-5-thiol?
The molecular weight of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-tetrazole-5-thiol is 236.04 g/mol.
Where can I buy 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-tetrazole-5-thiol?
You can request a quote for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-tetrazole-5-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-tetrazole-5-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-tetrazole-5-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.