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

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Names

[ CAS No. ]:
14864-27-8

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

[Synonym ]:
3-<N,N-Dimethyl-carbamoylmercapto>-estran-17-on
3-[(N,N-dimethylcarbamoyl)thio]estra-1,3,5(10)-trien-17-one
S-[17-oxoestra-1,3,5(10)-trien-3-yl] dimethylcarbamothioate

Chemical & Physical Properties

[ Density]:
1.21g/cm3

[ Boiling Point ]:
503.2ºC at 760mmHg

[ Molecular Formula ]:
C21H27NO2S

[ Molecular Weight ]:
357.51000

[ Flash Point ]:
258.1ºC

[ Exact Mass ]:
357.17600

[ PSA ]:
62.68000

[ LogP ]:
4.88550

[ Vapour Pressure ]:
2.97E-10mmHg at 25°C

[ Index of Refraction ]:
1.609

Precursor & DownStream

Precursor

  • 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
  • Estrone
  • sodium salt of estrone

DownStream

Related Compounds

  • tert-butyl N-[14-[[(1S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methylthiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]amino]-14-oxo-tetradecyl]carbamate
  • (2S,4R)-4-hydroxy-1-[(2S)-2-[2-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methylthiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
  • tert-butyl N-[2-[2-[2-[[4-[[(1S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methylthiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]amino]-4-oxo-butanoyl]amino]ethoxy]ethoxy]ethyl]carbamate
  • methyl (E)-4-[2-[2-[2-[2-[2-[[(1S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methylthiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]amino]-2-oxo-ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]but-2-enoate
  • tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[2-[[(1S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methylthiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]amino]-2-oxo-ethyl]carbamate
  • (2S,4S)-1-[(2S)-2-[5-[4-[[(1R,2S)-2,5-diamino-1-methyl-5-oxo-pentoxy]methyl]phenyl]pentanoylamino]-3,3-dimethyl-butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methylthiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
  • tert-butyl N-[2-[2-[2-[2-[2-[[(1S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methylthiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]amino]-2-oxo-ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
  • 3-[2-[2-[2-[2-[3-[[(1S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methylthiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]amino]-3-oxo-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
  • 2-[2-[2-[2-[2-[2-[2-[[[(2S,4R)-1-[(2S)-2-acetamido-3,3-dimethyl-butanoyl]-4-hydroxy-pyrrolidine-2-carbonyl]amino]methyl]-5-(4-methylthiazol-5-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
  • benzyl 2-[2-[2-[2-[2-[[(1S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methylthiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]amino]-2-oxo-ethoxy]ethoxy]ethoxy]ethoxy]acetate
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