Thiomesterone

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Properties Simple | Detailed

Formula C24H34O4S2
IUPAC Name s-[(1s,7r,8s,9s,10r,13s,14s,17s)-1-acetylsulfanyl-17-hydroxy-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-7-yl] ethanethioate
Molecular Mass 450.654 g·mol−1
Heat of Formation -830.7 ± 16.7 kJ·mol−1
Dipole Moment 4.61 ± 1.08 D
Volume 544.72 Å 3
Surface Area 410.15 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • 1alpha,7alpha-diacetylthio 17beta-hydroxy-17-methylandrost-4-en-3-one
  • androst-4-en-3-one, 17-beta-hydroxy-1-alpha,7-alpha-dimercapto-17-methyl-, 1,7-d
  • androst-4-en-3-one, 17-beta-hydroxy-1-alpha,7-alpha-dimercapto-17-methyl-, 1,7-diacetate
  • embadol
  • emdabol
  • emdabolin
  • ethanethioic acid s-[[(1s,7r,8s,9s,10r,13s,14s,17s)-1-(acetylthio)-17-hydroxy-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-7-yl]] ester
  • ethanethioic acid s-[[(1s,7r,8s,9s,10r,13s,14s,17s)-1-(acetylthio)-17-hydroxy-3-keto-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-7-yl]] ester
  • protabol
  • s-[[(1s,7r,8s,9s,10r,13s,14s,17s)-1-acetylsulfanyl-17-hydroxy-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-7-yl]] ethanethioate
  • s-[[(1s,7r,8s,9s,10r,13s,14s,17s)-1-ethanoylsulfanyl-17-hydroxy-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-7-yl]] ethanethioate
  • thiomestrone
  • tiomesterone
CAS Number(s)
  • 2205-73-4
InChIKey YUOZKOLALXNELS-SQVYRKCQSA-N
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