Chem
J-GLOBAL ID：200907050323534710   Nikkaji number：J2.368.053J

Thiourocanic acid

チオウロカン酸
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： C6H6N2O2S
Molecular formula furigana： C6-H6-N2-O2-S
Molecular weight： 170.190
InChI： InChI=1S/C6H6N2O2S/c9-5(10)2-1-4-3-7-6(11)8-4/h1-3H,(H,9,10)(H2,7,8,11)
InChI key： ZBKFFCZXHBPGFK-UHFFFAOYSA-N
SMILES： OC(=O)C=Cc1c[nH]c(=S)[nH]1
Systematic name  (4)：
  • 3-(2,3-ジヒドロ-2-チオキソ-1H-イミダゾール-4-イル)プロペン酸
  • 3-(2-メルカプト-1H-イミダゾール-4-イル)プロペン酸
  • 3-(2-スルファニリデン-2,3-ジヒドロ-1H-イミダゾール-4-イル)プロパ-2-エン酸
  • 3-(2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl)prop-2-enoic acid
Other name (5)：
  • 3-(2,3-Dihydro-2-thioxo-1H-imidazole-4-yl)propenoic acid
  • チオウロカン酸
  • Thiourocanic acid
  • 3-(2-Mercapto-1H-imidazole-4-yl)propenoic acid
  • チオウロカニン酸
CAS registry number： 6736-42-1
KEGG COMPOUND： C05571
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