4-Amino-5-propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 4-Amino-5-propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 30342-87-1) is a chemical compound with molecular formula C5H10N4S and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-propyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-amino-5-propyl-4H-1,2,4-triazole-3-thiol, 4-amino-3-propyl-1H-1,2,4-triazole-5-thione, 4-amino-5-propyl-1,2,4-triazole-3-thiol, 4-Amino-5-propyl-4H-[1,2,4]triazole-3-thiol, 4-amino-5-mercapto-3-propyl-1,2,4-triazole
| Molecular Formula | C5H10N4S |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 85.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.06262 |
| Heavy Atoms | 10 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 30342-87-1 |
|---|---|
| SMILES | CCCC1=NNC(=S)N1N |
| InChIKey | ROAXVRKEIASZAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-5-propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 30342-87-1), with molecular formula C5H10N4S and molecular weight 158.06 g/mol. IUPAC: 4-amino-3-propyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-Amino-5-propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 4-Amino-5-propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-5-propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-5-propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 4-Amino-5-propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione 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 4-Amino-5-propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 4-Amino-5-propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 30342-87-1.
What is the molecular formula of 4-Amino-5-propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 4-Amino-5-propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is C5H10N4S.
What is the molecular weight of 4-Amino-5-propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 4-Amino-5-propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 158.06 g/mol.
Where can I buy 4-Amino-5-propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 4-Amino-5-propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-5-propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-5-propyl-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.