AC1MD4EI
methyl N-cyano-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine-1-carboximidothioate
Also Known As: KS-00003C8D|7C-064|methyl N-cyano-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyrazinecarbimidothioate|SR-01000638213-1|methyl N-cyano-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine-1-carboximidothioate|(Z)-cyano({4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}(methylsulfanyl)methylidene)amine|Methyl N-cyano-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinecarboximidothioate|[[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-methylsulfanyl-methylidene]cyanamide
| Molecular Formula | C14H13F3N6O4S |
|---|---|
| Molecular Weight | 418.0671 g/mol |
| LogP | 2.84388 |
| Topological Polar Surface Area | 128.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.0671 |
| Monoisotopic Mass | 418.0671 |
| Heavy Atoms | 28 |
| Complexity | 826.6082 |
Chemical Identifiers
| CAS Number | 343375-54-2 |
|---|---|
| SMILES | CSC(=NC#N)N1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
AC1MD4EI (CAS 343375-54-2), with molecular formula C14H13F3N6O4S and molecular weight 418.0671 g/mol. IUPAC: methyl N-cyano-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine-1-carboximidothioate.