2,4-Dihydro-5-methyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione
TL;DR: 2,4-Dihydro-5-methyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione (CAS 6232-84-4) is a chemical compound with molecular formula C6H9N3S and molecular weight 155.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-allyl-5-methyl-4H-1,2,4-triazole-3-thiol, (2R)-2-amino-3-cyanopropanoic acid, 3-methyl-4-prop-2-enyl-1H-1,2,4-triazole-5-thione, 5-methyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol, 4-allyl-5-methyl-1,2,4-triazole-3-thione
| Molecular Formula | C6H9N3S |
|---|---|
| Molecular Weight | 155.05 g/mol |
| LogP | 1.43511 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.05171 |
| Heavy Atoms | 10 |
| Complexity | 283.4282 |
Chemical Identifiers
| CAS Number | 6232-84-4 |
|---|---|
| SMILES | CC1=NNC(=S)N1CC=C |
Product Overview
2,4-Dihydro-5-methyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione (CAS 6232-84-4), with molecular formula C6H9N3S and molecular weight 155.05 g/mol. IUPAC: 3-methyl-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 2,4-Dihydro-5-methyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione
Property Insights of 2,4-Dihydro-5-methyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione
The XLogP value of 1.43511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dihydro-5-methyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione. With a topological polar surface area (TPSA) of 33.61 Ų, 2,4-Dihydro-5-methyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dihydro-5-methyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione 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 2,4-Dihydro-5-methyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione?
The CAS number of 2,4-Dihydro-5-methyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione is 6232-84-4.
What is the molecular formula of 2,4-Dihydro-5-methyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione?
The molecular formula of 2,4-Dihydro-5-methyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione is C6H9N3S.
What is the molecular weight of 2,4-Dihydro-5-methyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione?
The molecular weight of 2,4-Dihydro-5-methyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione is 155.05 g/mol.
Where can I buy 2,4-Dihydro-5-methyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione?
You can request a quote for 2,4-Dihydro-5-methyl-4-(2-propen-1-yl)-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 2,4-Dihydro-5-methyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dihydro-5-methyl-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.