Chem
J-GLOBAL ID:200907048401963246   Nikkaji number:J16.754A

2,6-Dithio-8-n-heptylthiotheophylline

2,6-ジチオ-8-n-ヘプチルチオテオフィリン
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: C14H22N4S3
Molecular formula furigana: C14-H22-N4-S3
Molecular weight: 342.540
InChI: InChI=1S/C14H22N4S3/c1-4-5-6-7-8-9-21-13-15-10-11(16-13)17(2)14(20)18(3)12(10)19/h4-9H2,1-3H3,(H,15,16)
InChI key: MHJRZTULERREIP-UHFFFAOYSA-N
SMILES: CCCCCCCSc1nc2n(C)c(=S)n(C)c(=S)c2[nH]1
Systematic name  (3):
  • 1,3-ジメチル-8-(ヘプチルチオ)-1H-プリン-2,6(3H,7H)-ジチオン
  • 8-(ヘプチルスルファニル)-1,3-ジメチル-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジチオン
  • 8-(heptylsulfanyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dithione
Other name (5):
  • 8-(ヘプチルチオ)-2,6-ジチオテオフィリン
  • 8-(Heptylthio)-2,6-dithiotheophylline
  • 2,6-ジチオ-8-n-ヘプチルチオテオフィリン
  • 2,6-Dithio-8-n-heptylthiotheophylline
  • 1,3-Dimethyl-8-(heptylthio)-1H-purine-2,6(3H,7H)-dithione
CAS registry number: 6466-23-5
Regulation number (1):
  • XH5140000
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