4-Cyclohexyl-3-mercapto-4,5-dihydro-1h-1,2,4-triazol-5-one
TL;DR: 4-Cyclohexyl-3-mercapto-4,5-dihydro-1h-1,2,4-triazol-5-one (CAS 119185-58-9) is a chemical compound with molecular formula C8H13N3OS and molecular weight 199.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclohexyl-5-sulfanylidene-1,2,4-triazolidin-3-one
Also Known As: 4-Cyclohexyl-3-mercapto-4,5-dihydro-1h-1,2,4-triazol-5-one, 4-cyclohexyl-5-mercapto-2,4-dihydro-3H-1,2,4-triazol-3-one, 4-cyclohexyl-5-sulfanylidene-1,2,4-triazolidin-3-one, 4-cyclohexyl-5-sulfanyl-4H-1,2,4-triazol-3-ol, 4-cyclohexyl-5-sulfanyl-1,2,4-triazol-3-ol
| Molecular Formula | C8H13N3OS |
|---|---|
| Molecular Weight | 199.08 g/mol |
| LogP | 1.73919 |
| Topological Polar Surface Area | 53.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.07793 |
| Heavy Atoms | 13 |
| Complexity | 355.08368 |
Chemical Identifiers
| CAS Number | 119185-58-9 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=O)NNC2=S |
Product Overview
4-Cyclohexyl-3-mercapto-4,5-dihydro-1h-1,2,4-triazol-5-one (CAS 119185-58-9), with molecular formula C8H13N3OS and molecular weight 199.08 g/mol. IUPAC: 4-cyclohexyl-5-sulfanylidene-1,2,4-triazolidin-3-one.
Chemical Property Profile of 4-Cyclohexyl-3-mercapto-4,5-dihydro-1h-1,2,4-triazol-5-one
Property Insights of 4-Cyclohexyl-3-mercapto-4,5-dihydro-1h-1,2,4-triazol-5-one
The XLogP value of 1.73919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyclohexyl-3-mercapto-4,5-dihydro-1h-1,2,4-triazol-5-one. With a topological polar surface area (TPSA) of 53.58 Ų, 4-Cyclohexyl-3-mercapto-4,5-dihydro-1h-1,2,4-triazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyclohexyl-3-mercapto-4,5-dihydro-1h-1,2,4-triazol-5-one 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 4-Cyclohexyl-3-mercapto-4,5-dihydro-1h-1,2,4-triazol-5-one?
The CAS number of 4-Cyclohexyl-3-mercapto-4,5-dihydro-1h-1,2,4-triazol-5-one is 119185-58-9.
What is the molecular formula of 4-Cyclohexyl-3-mercapto-4,5-dihydro-1h-1,2,4-triazol-5-one?
The molecular formula of 4-Cyclohexyl-3-mercapto-4,5-dihydro-1h-1,2,4-triazol-5-one is C8H13N3OS.
What is the molecular weight of 4-Cyclohexyl-3-mercapto-4,5-dihydro-1h-1,2,4-triazol-5-one?
The molecular weight of 4-Cyclohexyl-3-mercapto-4,5-dihydro-1h-1,2,4-triazol-5-one is 199.08 g/mol.
Where can I buy 4-Cyclohexyl-3-mercapto-4,5-dihydro-1h-1,2,4-triazol-5-one?
You can request a quote for 4-Cyclohexyl-3-mercapto-4,5-dihydro-1h-1,2,4-triazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyclohexyl-3-mercapto-4,5-dihydro-1h-1,2,4-triazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyclohexyl-3-mercapto-4,5-dihydro-1h-1,2,4-triazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.