Chem
J-GLOBAL ID：200907017729386170   Nikkaji number：J38.391K

Thiamylal

チアミラール
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： C12H18N2O2S
Molecular formula furigana： C12-H18-N2-O2-S
Molecular weight： 254.350
InChI： InChI=1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)
InChI key： XLOMZPUITCYLMJ-UHFFFAOYSA-N
SMILES： CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O
Systematic name  (7)：
  • 1,2-ジヒドロ-2-チオキソ-5-アリル-5-(1-メチルブチル)ピリミジン-4,6(3H,5H)-ジオン
  • 2,3-ジヒドロ-5-アリル-5-(1-メチルブチル)-2-チオキソピリミジン-4,6(1H,5H)-ジオン
  • 2,3-ジヒドロ-5-(1-メチルブチル)-5-(2-プロペニル)-2-チオキソ-4,6(1H,5H)-ピリミジンジオン
  • 5-アリル-5-(1-メチルブチル)-4,6-ジオキソ-1,3-ジヒドロピリミジン-2-チオン
  • 5-アリル-5-(1-メチルブチル)-2-チオバルビツル酸
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Other name (10)：
  • チアミラール
  • Thiamylal
  • 5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid
  • 2,3-Dihydro-5-(1-methylbutyl)-5-(2-propenyl)-2-thioxo-4,6(1H,5H)-pyrimidinedione
  • 5-Allyl-5-(1-methylbutyl)-4,6-dioxo-1,3-dihydropyrimidine-2-thione
Show all
CAS registry number： 77-27-0
Regulation number (3)：
  • (5)-949
  • (9)-154
  • EINECS2010183
KEGG DRUG： D06106
KEGG COMPOUND： C07846
Application (1)：
anesthetic
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