5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 7271-44-5) is a chemical compound with molecular formula C3H5N3S and molecular weight 115.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 5-methyl-4H-1,2,4-triazole-3-thiol, 5-Mdtt, 3-methyl-1H-1,2,4-triazole-5-thiol, 3-Methyl-1,2,4-triazole-5-thione, 5-Methyl-1H-1,2,4-triazole-3(2H)-thione
| Molecular Formula | C3H5N3S |
|---|---|
| Molecular Weight | 115.02 g/mol |
| LogP | 0.77571 |
| Topological Polar Surface Area | 44.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 115.02042 |
| Heavy Atoms | 7 |
| Complexity | 197.94498 |
Chemical Identifiers
| CAS Number | 7271-44-5 |
|---|---|
| SMILES | CC1=NC(=S)NN1 |
Product Overview
5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 7271-44-5), with molecular formula C3H5N3S and molecular weight 115.02 g/mol. IUPAC: 5-methyl-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 0.77571 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione. With a topological polar surface area (TPSA) of 44.47 Ų, 5-methyl-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-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione has 2 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 5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 7271-44-5.
What is the molecular formula of 5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is C3H5N3S.
What is the molecular weight of 5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 115.02 g/mol.
Where can I buy 5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-methyl-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-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.