Chem
J-GLOBAL ID：201307076052371642   Nikkaji number：J3.189.971K

Kabe-2602

1-[4-(トリフルオロメチル)-2,6-ジニトロフェニル]-4-(4-フルオロフェニル)チオセミカルバジド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C14H9F4N3[N+]2O2[O-]2S
Molecular formula furigana： C14-H9-F4-N5-O4-S
Molecular weight： 419.310
InChI： InChI=1S/C14H9F4N5O4S/c15-8-1-3-9(4-2-8)19-13(28)21-20-12-10(22(24)25)5-7(14(16,17)18)6-11(12)23(26)27/h1-6,20H,(H2,19,21,28)
InChI key： NNPBSITXCGPXJC-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1cc(cc(c1NNC(=S)Nc1ccc(F)cc1)[N+](=O)[O-])C(F)(F)F
Systematic name  (3)：
  • 1-[4-(トリフルオロメチル)-2,6-ジニトロフェニル]-4-(4-フルオロフェニル)チオセミカルバジド
  • 3-{[2,6-ジニトロ-4-(トリフルオロメチル)フェニル]アミノ}-1-(4-フルオロフェニル)チオ尿素
  • 3-{[2,6-dinitro-4-(trifluoromethyl)phenyl]amino}-1-(4-fluorophenyl)thiourea
Other name (3)：
  • 1-[4-(Trifluoromethyl)-2,6-dinitrophenyl]-4-(4-fluorophenyl)thiosemicarbazide
  • Kabe-2602
  • Kobe-2602
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