Chem
J-GLOBAL ID：200907058930556759   Nikkaji number：J1.454.930G

1-Butyl-3-[3-(3-methylthioureido)propyl]-1H-imidazole-3-ium

1-ブチル-3-[3-(3-メチルチオウレイド)プロピル]-1H-イミダゾール-3-イウム
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： C12H23N3[N+]S
Molecular formula furigana： C12-H23-N4-S
Molecular weight： 255.400
InChI： InChI=1S/C12H22N4S/c1-3-4-7-15-9-10-16(11-15)8-5-6-14-12(17)13-2/h9-11H,3-8H2,1-2H3,(H-,13,14,17)/p+1
InChI key： KUKLGSMPJAJAEJ-UHFFFAOYSA-O
SMILES： CCCCn1cc[n+](CCCNC(=S)NC)c1
Systematic name  (4)：
  • 1-ブチル-3-[3-(3-メチルチオウレイド)プロピル]-1H-イミダゾール-3-イウム
  • 1-ブチル-3-[3-[メチルアミノ(チオカルボニル)アミノ]プロピル]-1H-イミダゾール-3-イウム
  • 1-ブチル-3-{3-[(メチルカルバモチオイル)アミノ]プロピル}-1H-イミダゾール-3-イウム
  • 1-butyl-3-{3-[(methylcarbamothioyl)amino]propyl}-1H-imidazol-3-ium
Other name (2)：
  • 1-Butyl-3-[3-(3-methylthioureido)propyl]-1H-imidazole-3-ium
  • 1-Butyl-3-[3-[methylamino(thiocarbonyl)amino]propyl]-1H-imidazole-3-ium
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