3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-methylphenyl)-
TL;DR: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-methylphenyl)- (CAS 110623-38-6) is a chemical compound with molecular formula C11H13N3S and molecular weight 219.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-5-(4-methylphenyl)-1,2,4-triazole-3-thione
Also Known As: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-methylphenyl)-, 2,4-Dihydro-2,4-dimethyl-5-(4-methylphenyl)-3H-1,2,4-triazole-3-thione, 2,4-dimethyl-5-(4-methylphenyl)-1,2,4-triazole-3-thione, 3H-1,2,4-Triazole-3-thione,2,4-dihydro-2,4-dimethyl-5-(4-methylphenyl)-, 5-(4-methylphenyl)-2,4-dimethyl-3H-1,2,4-triazole-3-thione
| Molecular Formula | C11H13N3S |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | 2.46351 |
| Topological Polar Surface Area | 22.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.08302 |
| Heavy Atoms | 15 |
| Complexity | 533.9509 |
Chemical Identifiers
| CAS Number | 110623-38-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C(=S)N2C)C |
Product Overview
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-methylphenyl)- (CAS 110623-38-6), with molecular formula C11H13N3S and molecular weight 219.08 g/mol. IUPAC: 2,4-dimethyl-5-(4-methylphenyl)-1,2,4-triazole-3-thione.
Chemical Property Profile of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-methylphenyl)-
Property Insights of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-methylphenyl)-
The XLogP value of 2.46351 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-methylphenyl)-. With a topological polar surface area (TPSA) of 22.75 Ų, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-methylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-methylphenyl)- has 0 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 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-methylphenyl)-?
The CAS number of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-methylphenyl)- is 110623-38-6.
What is the molecular formula of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-methylphenyl)-?
The molecular formula of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-methylphenyl)- is C11H13N3S.
What is the molecular weight of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-methylphenyl)-?
The molecular weight of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-methylphenyl)- is 219.08 g/mol.
Where can I buy 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-methylphenyl)-?
You can request a quote for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-methylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-methylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.