2,5-Dimethyl-5-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol
TL;DR: 2,5-Dimethyl-5-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol (CAS 59395-31-2) is a chemical compound with molecular formula C10H13N3S and molecular weight 207.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-5-phenyl-1,2,4-triazolidine-3-thione
Also Known As: 2,5-Dimethyl-5-phenyl-1,2,4-triazolidine-3-thione, 1,2,4-Triazolidine-3-thione, 2,5-dimethyl-5-phenyl-, 1,3-Dimethyl-3-phenyl-1,2,4-triazolidin-5-thion, 1,3-Dimethyl-3-phenyl-1,2,4-triazolidin-5-thion [German], 2,5-Dimethyl-5-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol
| Molecular Formula | C10H13N3S |
|---|---|
| Molecular Weight | 207.08 g/mol |
| LogP | 1.1838 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.08302 |
| Heavy Atoms | 14 |
| Complexity | 351.64456 |
Chemical Identifiers
| CAS Number | 59395-31-2 |
|---|---|
| SMILES | CC1(NC(=S)N(N1)C)C2=CC=CC=C2 |
Product Overview
2,5-Dimethyl-5-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol (CAS 59395-31-2), with molecular formula C10H13N3S and molecular weight 207.08 g/mol. IUPAC: 2,5-dimethyl-5-phenyl-1,2,4-triazolidine-3-thione.
Chemical Property Profile of 2,5-Dimethyl-5-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol
Property Insights of 2,5-Dimethyl-5-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol
The XLogP value of 1.1838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethyl-5-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 27.3 Ų, 2,5-Dimethyl-5-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyl-5-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol 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 2,5-Dimethyl-5-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol?
The CAS number of 2,5-Dimethyl-5-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol is 59395-31-2.
What is the molecular formula of 2,5-Dimethyl-5-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol?
The molecular formula of 2,5-Dimethyl-5-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol is C10H13N3S.
What is the molecular weight of 2,5-Dimethyl-5-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol?
The molecular weight of 2,5-Dimethyl-5-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol is 207.08 g/mol.
Where can I buy 2,5-Dimethyl-5-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol?
You can request a quote for 2,5-Dimethyl-5-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethyl-5-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl-5-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.