5-Mercapto-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-ol
TL;DR: 5-Mercapto-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-ol (CAS 793678-87-2) is a chemical compound with molecular formula C6H11N3O2S and molecular weight 189.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methoxypropyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
Also Known As: 5-Mercapto-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-ol, 4-(3-methoxypropyl)-5-sulfanylidene-1,2,4-triazolidin-3-one, 4-(3-methoxypropyl)-5-sulfanyl-4H-1,2,4-triazol-3-ol
| Molecular Formula | C6H11N3O2S |
|---|---|
| Molecular Weight | 189.06 g/mol |
| LogP | 0.27049 |
| Topological Polar Surface Area | 62.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.0572 |
| Heavy Atoms | 12 |
| Complexity | 309.55267 |
Chemical Identifiers
| CAS Number | 793678-87-2 |
|---|---|
| SMILES | COCCCN1C(=O)NNC1=S |
Product Overview
5-Mercapto-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-ol (CAS 793678-87-2), with molecular formula C6H11N3O2S and molecular weight 189.06 g/mol. IUPAC: 4-(3-methoxypropyl)-5-sulfanylidene-1,2,4-triazolidin-3-one.
Chemical Property Profile of 5-Mercapto-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-ol
Property Insights of 5-Mercapto-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-ol
The XLogP value of 0.27049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Mercapto-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-ol. The TPSA of 62.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Mercapto-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-ol. Following Lipinski's Rule of Five, 5-Mercapto-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-ol has 2 hydrogen bond donor(s) and 3 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-Mercapto-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-ol?
The CAS number of 5-Mercapto-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-ol is 793678-87-2.
What is the molecular formula of 5-Mercapto-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-ol?
The molecular formula of 5-Mercapto-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-ol is C6H11N3O2S.
What is the molecular weight of 5-Mercapto-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-ol?
The molecular weight of 5-Mercapto-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-ol is 189.06 g/mol.
Where can I buy 5-Mercapto-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-ol?
You can request a quote for 5-Mercapto-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Mercapto-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 5-Mercapto-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.