19-Sulfanylandrost-4-Ene-3,17-Dione

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Properties Simple | Detailed

Formula C19H26O2S
IUPAC Name (8s,9s,10s,13s,14s)-13-methyl-10-(sulfanylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
Molecular Mass 318.474 g·mol−1
Heat of Formation -395.1 ± 16.7 kJ·mol−1
Dipole Moment 5.20 ± 1.08 D
Volume 394.58 Å 3
Surface Area 312.58 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10s,13s,14s)-10-(mercaptomethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
  • (8s,9s,10s,13s,14s)-10-(mercaptomethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-quinone
  • (8s,9s,10s,13s,14s)-13-methyl-10-(sulfanylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
  • 19-maed
  • 19-mercaptoandrost-4-ene-3,17-dione
  • androst-4-ene-3,17-dione, 19-mercapto-
CAS Number(s)
  • 90212-02-5
InChIKey KNNWZTLIWIMQIQ-BGJMDTOESA-N
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