1-(1,3-benzodioxol-5-yl)-1H-tetrazole-5-thiol
TL;DR: 1-(1,3-benzodioxol-5-yl)-1H-tetrazole-5-thiol (CAS 370079-10-0) is a chemical compound with molecular formula C8H6N4O2S and molecular weight 222.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2H-tetrazole-5-thione
Also Known As: 1-(1,3-benzodioxol-5-yl)-1H-tetrazole-5-thiol, 1-(1,3-benzodioxol-5-yl)-2H-tetrazole-5-thione, BAS 04455934, 1-(1,3-Dioxaindan-5-yl)-1h-1,2,3,4-tetrazole-5-thiol, 1-(2H-1,3-benzodioxol-5-yl)-1H-1,2,3,4-tetrazole-5-thiol
| Molecular Formula | C8H6N4O2S |
|---|---|
| Molecular Weight | 222.02 g/mol |
| LogP | 1.05359 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.02115 |
| Heavy Atoms | 15 |
| Complexity | 561.76447 |
Chemical Identifiers
| CAS Number | 370079-10-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N3C(=S)N=NN3 |
Product Overview
1-(1,3-benzodioxol-5-yl)-1H-tetrazole-5-thiol (CAS 370079-10-0), with molecular formula C8H6N4O2S and molecular weight 222.02 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2H-tetrazole-5-thione.
Chemical Property Profile of 1-(1,3-benzodioxol-5-yl)-1H-tetrazole-5-thiol
Property Insights of 1-(1,3-benzodioxol-5-yl)-1H-tetrazole-5-thiol
The XLogP value of 1.05359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-benzodioxol-5-yl)-1H-tetrazole-5-thiol. The TPSA of 64.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-benzodioxol-5-yl)-1H-tetrazole-5-thiol. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-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-(1,3-benzodioxol-5-yl)-1H-tetrazole-5-thiol?
The CAS number of 1-(1,3-benzodioxol-5-yl)-1H-tetrazole-5-thiol is 370079-10-0.
What is the molecular formula of 1-(1,3-benzodioxol-5-yl)-1H-tetrazole-5-thiol?
The molecular formula of 1-(1,3-benzodioxol-5-yl)-1H-tetrazole-5-thiol is C8H6N4O2S.
What is the molecular weight of 1-(1,3-benzodioxol-5-yl)-1H-tetrazole-5-thiol?
The molecular weight of 1-(1,3-benzodioxol-5-yl)-1H-tetrazole-5-thiol is 222.02 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-yl)-1H-tetrazole-5-thiol?
You can request a quote for 1-(1,3-benzodioxol-5-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-(1,3-benzodioxol-5-yl)-1H-tetrazole-5-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-yl)-1H-tetrazole-5-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.