4-cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazole-3-thiol (CAS 352018-98-5) is a chemical compound with molecular formula C8H9N5S2 and molecular weight 239.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclopropyl-3-(4-methylthiadiazol-5-yl)-1H-1,2,4-triazole-5-thione
Also Known As: Maybridge4_002769, 4-cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazole-3-thiol, 2-(Homopiperazin-1-yl)nicotinonitrile, IDI1_032647, 4-cyclopropyl-5-(4-methyl-2H-thiadiazol-5-ylidene)-1,2,4-triazole-3-thione
| Molecular Formula | C8H9N5S2 |
|---|---|
| Molecular Weight | 239.03 g/mol |
| LogP | 2.10251 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.02994 |
| Heavy Atoms | 15 |
| Complexity | 547.3782 |
Chemical Identifiers
| CAS Number | 352018-98-5 |
|---|---|
| SMILES | CC1=C(SN=N1)C2=NNC(=S)N2C3CC3 |
Product Overview
4-cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazole-3-thiol (CAS 352018-98-5), with molecular formula C8H9N5S2 and molecular weight 239.03 g/mol. IUPAC: 4-cyclopropyl-3-(4-methylthiadiazol-5-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.10251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 59.39 Ų, 4-cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 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 4-cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazole-3-thiol is 352018-98-5.
What is the molecular formula of 4-cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazole-3-thiol is C8H9N5S2.
What is the molecular weight of 4-cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazole-3-thiol is 239.03 g/mol.
Where can I buy 4-cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-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 4-cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.