N,N-dimethyl-1-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)oxy]methanethioamide

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Names

[ CAS No. ]:
13522-76-4

[ Name ]:
N,N-dimethyl-1-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)oxy]methanethioamide

[Synonym ]:
3-<(N,N-dimethylthiocarbamoyl)oxy>estra-1,3,5(10)-trien-17-one
N,N-DIMETHYL-1-[(13-METHYL-17-OXO-7,8,9,11,12,14,15,16-OCTAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-3-YL)OXY]METHANETHIOAMIDE
3-<N,N-Dimethyl-thiocarbamoyloxy>-estran-17-on
O-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate

Chemical & Physical Properties

[ Density]:
1.179g/cm3

[ Boiling Point ]:
477.2ºC at 760 mmHg

[ Molecular Formula ]:
C21H27NO2S

[ Molecular Weight ]:
357.51000

[ Flash Point ]:
242.4ºC

[ Exact Mass ]:
357.17600

[ PSA ]:
61.63000

[ LogP ]:
4.33710

[ Vapour Pressure ]:
2.86E-09mmHg at 25°C

[ Index of Refraction ]:
1.596

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Estrone
  • Dimethylcarbamothioic chloride
  • sodium salt of estrone

DownStream

  • Estra-1,3,5(10)-trien-17-one,3-[[(dimethylamino)carbonyl]thio]- (9CI)

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 4-(ethoxymethyl)-4-methyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • (2S)-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-amine
  • Bottromycin A1
  • N-(2,6-difluorobenzyl)-3-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3,5-dimethyl-1H-pyrazol-4-yl)propanamide