Chem
J-GLOBAL ID：200907053456384508   Nikkaji number：J1.862.460E

3′-(Methylthio)-5′-mercapto-3′,5′-dideoxythymidine

3′-(メチルチオ)-5′-メルカプト-3′,5′-ジデオキシチミジン
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： C11H16N2O3S2
Molecular formula furigana： C11-H16-N2-O3-S2
Molecular weight： 288.380
InChI： InChI=1S/C11H16N2O3S2/c1-6-4-13(11(15)12-10(6)14)9-3-8(18-2)7(5-17)16-9/h4,7-9,17H,3,5H2,1-2H3,(H,12,14,15)/t7-,8+,9-/m1/s1
InChI key： DVDVHRCSBBKOIR-HRDYMLBCSA-N
SMILES： CS[C@H]1C[C@@H](O[C@@H]1CS)n1cc(C)c(=O)[nH]c1=O
Systematic name  (4)：
  • 1-[4α-(メチルチオ)-5β-(メルカプトメチル)テトラヒドロフラン-2β-イル]チミン
  • 3′-(メチルチオ)-5′-メルカプト-3′,5′-ジデオキシチミジン
  • 5-メチル-1-[(2R,4S,5R)-4-(メチルスルファニル)-5-(スルファニルメチル)オキソラン-2-イル]-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 5-methyl-1-[(2R,4S,5R)-4-(methylsulfanyl)-5-(sulfanylmethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (2)：
  • 1-[4α-(Methylthio)-5β-(mercaptomethyl)tetrahydrofuran-2β-yl]thymine
  • 3′-(Methylthio)-5′-mercapto-3′,5′-dideoxythymidine
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