5-Amino-4-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-Amino-4-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 66870-08-4) is a chemical compound with molecular formula C9H10N4S and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-benzyl-1H-1,2,4-triazole-5-thione
Also Known As: 3-amino-4-benzyl-1H-1,2,4-triazole-5-thione, 5-amino-4-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-amino-4-benzyl-2H-1,2,4-triazole-3-thione, 3H-1,2,4-Triazole-3-thione, 5-amino-2,4-dihydro-4-(phenylmethyl)-, RefChem:301028
| Molecular Formula | C9H10N4S |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 1.57119 |
| Topological Polar Surface Area | 59.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.06262 |
| Heavy Atoms | 14 |
| Complexity | 471.05722 |
Chemical Identifiers
| CAS Number | 66870-08-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NNC2=S)N |
Product Overview
5-Amino-4-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 66870-08-4), with molecular formula C9H10N4S and molecular weight 206.06 g/mol. IUPAC: 3-amino-4-benzyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-Amino-4-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-Amino-4-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 1.57119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-4-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione. With a topological polar surface area (TPSA) of 59.63 Ų, 5-Amino-4-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-4-benzyl-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 5-Amino-4-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-Amino-4-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 66870-08-4.
What is the molecular formula of 5-Amino-4-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-Amino-4-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is C9H10N4S.
What is the molecular weight of 5-Amino-4-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-Amino-4-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 206.06 g/mol.
Where can I buy 5-Amino-4-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-Amino-4-benzyl-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 5-Amino-4-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-4-benzyl-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.