19-(Methylsulfanyl)Androst-4-Ene-3,17-Dione

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Properties Simple | Detailed

Formula C20H28O2S
IUPAC Name (8s,9s,10s,13s,14s)-13-methyl-10-(methylsulfanylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
Molecular Mass 332.500 g·mol−1
Heat of Formation -405.6 ± 16.7 kJ·mol−1
Dipole Moment 5.46 ± 1.08 D
Volume 416.57 Å 3
Surface Area 331.64 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10s,13s,14s)-13-methyl-10-(methylsulfanylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
  • (8s,9s,10s,13s,14s)-13-methyl-10-[(methylthio)methyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
  • (8s,9s,10s,13s,14s)-13-methyl-10-[(methylthio)methyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-quinone
  • 19-thiomethylandrost-4-ene-3,17-dione
  • 19-tmaed
  • androst-4-ene-3,17-dione, 19-(methylthio)-
CAS Number(s)
  • 90212-03-6
InChIKey FDHUZZLLTRFCDB-VDWQKOAOSA-N
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