TL;DR: dimethyl N~1~,N~4~-dicyanotetrahydro-1,4-pyrazinedicarbimidothioate (CAS 151754-88-0) is a chemical compound with molecular formula C10H14N6S2 and molecular weight 282.07214 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 1-N,4-N-dicyanopiperazine-1,4-dicarboximidothioate
Also Known As: dimethyl N~1~,N~4~-dicyanotetrahydro-1,4-pyrazinedicarbimidothioate, 7C-129, dimethyl 1-N,4-N-dicyanopiperazine-1,4-dicarboximidothioate, Piperazine, 1,4-bis[(cyanimino)methylthio]methyl-, (Z)-cyano({4-[(1Z)-(cyanoimino)(methylsulfanyl)methyl]piperazin-1-yl}(methylsulfanyl)methylidene)amine
| Molecular Formula | C10H14N6S2 |
| Molecular Weight | 282.07214 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.07214 Da |
| Heavy Atoms | 18 |
| Complexity | 390.0 |
| SMILES | CSC(=NC#N)N1CCN(CC1)C(=NC#N)SC |
| InChIKey | JEGKNORCPCMJFZ-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl N~1~,N~4~-dicyanotetrahydro-1,4-pyrazinedicarbimidothioate. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl N~1~,N~4~-dicyanotetrahydro-1,4-pyrazinedicarbimidothioate. Following Lipinski's Rule of Five, dimethyl N~1~,N~4~-dicyanotetrahydro-1,4-pyrazinedicarbimidothioate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of dimethyl N~1~,N~4~-dicyanotetrahydro-1,4-pyrazinedicarbimidothioate is 151754-88-0.
The molecular formula of dimethyl N~1~,N~4~-dicyanotetrahydro-1,4-pyrazinedicarbimidothioate is C10H14N6S2.
The molecular weight of dimethyl N~1~,N~4~-dicyanotetrahydro-1,4-pyrazinedicarbimidothioate is 282.07214 g/mol.
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