TL;DR: SDCCGMLS-0064904.P001 (CAS 1392317-88-2) is a chemical compound with molecular formula C9H8N4OS2 and molecular weight 252.01395 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-3-sulfanylidene-4-[(E)-thiophen-2-ylmethylideneamino]-2H-1,2,4-triazin-5-one
Also Known As: SDCCGMLS-0064904.P001, J2.065.724C, (E)-6-methyl-4-((thiophen-2-ylmethylene)amino)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one, AB00095967-01, F0897-0026
| Molecular Formula | C9H8N4OS2 |
| Molecular Weight | 252.01395 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.01395 Da |
| Heavy Atoms | 16 |
| Complexity | 380.0 |
| SMILES | CC1=NNC(=S)N(C1=O)/N=C/C2=CC=CS2 |
| InChIKey | AEIJIVSLBHKEDO-BJMVGYQFSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SDCCGMLS-0064904.P001. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for SDCCGMLS-0064904.P001. Following Lipinski's Rule of Five, SDCCGMLS-0064904.P001 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of SDCCGMLS-0064904.P001 is 1392317-88-2.
The molecular formula of SDCCGMLS-0064904.P001 is C9H8N4OS2.
The molecular weight of SDCCGMLS-0064904.P001 is 252.01395 g/mol.
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