Chem
J-GLOBAL ID：200907086298785317   Nikkaji number：J9.329G

Thiochrome

チオクロム
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： C12H14N4OS
Molecular formula furigana： C12-H14-N4-O-S
Molecular weight： 262.330
InChI： InChI=1S/C12H14N4OS/c1-7-10(3-4-17)18-12-15-11-9(6-16(7)12)5-13-8(2)14-11/h5,17H,3-4,6H2,1-2H3
InChI key： GTQXMAIXVFLYKF-UHFFFAOYSA-N
SMILES： Cc1c(CCO)sc2=Nc3nc(C)ncc3Cn12
Systematic name  (4)：
  • 8-(2-ヒドロキシエチル)-2,7-ジメチル-5H-ピリミド[4,5-d]チアゾロ[3,2-a]ピリミジン
  • 2,7-ジメチル-5H-ピリミド[4,5-d]チアゾロ[3,2-a]ピリミジン-8-エタノール
  • 2-{6,12-ジメチル-4-チア-2,7,11,13-テトラアザトリシクロ[7.4.0.03,7]トリデカ-1(13),2,5,9,11-ペンタエン-5-イル}エタン-1-オール
  • 2-{6,12-dimethyl-4-thia-2,7,11,13-tetraazatricyclo[7.4.0.03,7]trideca-1(13),2,5,9,11-pentaen-5-yl}ethan-1-ol
Other name (5)：
  • チオクロム
  • Thiochrome
  • 2,7-Dimethyl-5H-thiachromine-8-ethanol
  • 2,7-Dimethyl-5H-pyrimido[4,5-d]thiazolo[3,2-a]pyrimidine-8-ethanol
  • 8-(2-Hydroxyethyl)-2,7-dimethyl-5H-pyrimido[4,5-d]thiazolo[3,2-a]pyrimidine
CAS registry number： 92-35-3
Regulation number (3)：
  • 8-(2)-459
  • EINECS2021499
  • TSCA(92-35-3)
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