![5-[(2-Methylcyclohexyl)amino]-1,3,4-thiadiazole-2-thiol structure](/static/products/7487/748776-50-3.webp)
5-[(2-Methylcyclohexyl)amino]-1,3,4-thiadiazole-2-thiol
TL;DR: 5-[(2-Methylcyclohexyl)amino]-1,3,4-thiadiazole-2-thiol (CAS 748776-50-3) is a chemical compound with molecular formula C9H15N3S2 and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-methylcyclohexyl)amino]-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-[(2-methylcyclohexyl)amino]-1,3,4-thiadiazole-2-thiol, 5-(2-Methyl-cyclohexylamino)-[1,3,4]thiadiazole-2-thiol, 5-((2-Methylcyclohexyl)amino)-1,3,4-thiadiazole-2-thiol, 5-[(2-methylcyclohexyl)amino]-3H-1,3,4-thiadiazole-2-thione
| Molecular Formula | C9H15N3S2 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 3.19129 |
| Topological Polar Surface Area | 40.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.07074 |
| Heavy Atoms | 14 |
| Complexity | 343.8263 |
Chemical Identifiers
| CAS Number | 748776-50-3 |
|---|---|
| SMILES | CC1CCCCC1NC2=NNC(=S)S2 |
Product Overview
5-[(2-Methylcyclohexyl)amino]-1,3,4-thiadiazole-2-thiol (CAS 748776-50-3), with molecular formula C9H15N3S2 and molecular weight 229.07 g/mol. IUPAC: 5-[(2-methylcyclohexyl)amino]-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-[(2-Methylcyclohexyl)amino]-1,3,4-thiadiazole-2-thiol
Property Insights of 5-[(2-Methylcyclohexyl)amino]-1,3,4-thiadiazole-2-thiol
The XLogP value of 3.19129 indicates that 5-[(2-Methylcyclohexyl)amino]-1,3,4-thiadiazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.71 Ų, 5-[(2-Methylcyclohexyl)amino]-1,3,4-thiadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(2-Methylcyclohexyl)amino]-1,3,4-thiadiazole-2-thiol has 2 hydrogen bond donor(s) and 4 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 5-[(2-Methylcyclohexyl)amino]-1,3,4-thiadiazole-2-thiol?
The CAS number of 5-[(2-Methylcyclohexyl)amino]-1,3,4-thiadiazole-2-thiol is 748776-50-3.
What is the molecular formula of 5-[(2-Methylcyclohexyl)amino]-1,3,4-thiadiazole-2-thiol?
The molecular formula of 5-[(2-Methylcyclohexyl)amino]-1,3,4-thiadiazole-2-thiol is C9H15N3S2.
What is the molecular weight of 5-[(2-Methylcyclohexyl)amino]-1,3,4-thiadiazole-2-thiol?
The molecular weight of 5-[(2-Methylcyclohexyl)amino]-1,3,4-thiadiazole-2-thiol is 229.07 g/mol.
Where can I buy 5-[(2-Methylcyclohexyl)amino]-1,3,4-thiadiazole-2-thiol?
You can request a quote for 5-[(2-Methylcyclohexyl)amino]-1,3,4-thiadiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(2-Methylcyclohexyl)amino]-1,3,4-thiadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2-Methylcyclohexyl)amino]-1,3,4-thiadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.