6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione
TL;DR: 6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione (CAS 91674-20-3) is a chemical compound with molecular formula C9H13N3O2S and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione
Also Known As: 6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione, 1,2,4-triazine-3,5(2h,4h)-dione, 6-(cyclohexylthio)-, 6-(cyclohexylthio)-1,2,4-triazine-3,5(2H,4H)-dione, 3.5-Dihydroxy-6-carboxymethylmercapto-1.2.4-triazin, 6-(Cyclohexylsulfanyl)-1,2,4-triazine-3,5(2H,4H)-dione
| Molecular Formula | C9H13N3O2S |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.07285 |
| Heavy Atoms | 15 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 91674-20-3 |
|---|---|
| SMILES | C1CCC(CC1)SC2=NNC(=O)NC2=O |
| InChIKey | RKDNTUCPZMXXNZ-UHFFFAOYSA-N |
Product Overview
6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione (CAS 91674-20-3), with molecular formula C9H13N3O2S and molecular weight 227.07 g/mol. IUPAC: 6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione
Property Insights of 6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione. Following Lipinski's Rule of Five, 6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione 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 6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione?
The CAS number of 6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione is 91674-20-3.
What is the molecular formula of 6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione?
The molecular formula of 6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione is C9H13N3O2S.
What is the molecular weight of 6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione?
The molecular weight of 6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione is 227.07 g/mol.
Where can I buy 6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione?
You can request a quote for 6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-cyclohexylsulfanyl-2H-1,2,4-triazine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.