dicyclopropyl-4H-1,2,4-triazole-3-thiol
TL;DR: dicyclopropyl-4H-1,2,4-triazole-3-thiol (CAS 853723-97-4) is a chemical compound with molecular formula C8H11N3S and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dicyclopropyl-1H-1,2,4-triazole-5-thione
Also Known As: 4,5-dicyclopropyl-4H-1,2,4-triazole-3-thiol, 4,5-dicyclopropyl-1,2,4-triazole-3-thiol, dicyclopropyl-4H-1,2,4-triazole-3-thiol, 3,4-dicyclopropyl-1H-1,2,4-triazole-5-thione, 4,5-Dicyclopropyl-4H-[1,2,4]triazole-3-thiol
| Molecular Formula | C8H11N3S |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 2.15299 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.06737 |
| Heavy Atoms | 12 |
| Complexity | 356.62503 |
Chemical Identifiers
| CAS Number | 853723-97-4 |
|---|---|
| SMILES | C1CC1C2=NNC(=S)N2C3CC3 |
Product Overview
dicyclopropyl-4H-1,2,4-triazole-3-thiol (CAS 853723-97-4), with molecular formula C8H11N3S and molecular weight 181.07 g/mol. IUPAC: 3,4-dicyclopropyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of dicyclopropyl-4H-1,2,4-triazole-3-thiol
Property Insights of dicyclopropyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.15299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dicyclopropyl-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 33.61 Ų, dicyclopropyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dicyclopropyl-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 2 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 dicyclopropyl-4H-1,2,4-triazole-3-thiol?
The CAS number of dicyclopropyl-4H-1,2,4-triazole-3-thiol is 853723-97-4.
What is the molecular formula of dicyclopropyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of dicyclopropyl-4H-1,2,4-triazole-3-thiol is C8H11N3S.
What is the molecular weight of dicyclopropyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of dicyclopropyl-4H-1,2,4-triazole-3-thiol is 181.07 g/mol.
Where can I buy dicyclopropyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for dicyclopropyl-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dicyclopropyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for dicyclopropyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.