3-(Acetylsulfanyl)-2-benzylpropanoic acid

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Names

[ CAS No. ]:
91702-98-6

[ Name ]:
3-(Acetylsulfanyl)-2-benzylpropanoic acid

[Synonym ]:
3-(Acetylsulfanyl)-2-benzylpropanoic acid
MFCD00236751
Benzenepropanoic acid, α-[(acetylthio)methyl]-
2-[(Acetylthio)methyl]-phenylpropionic acid
3-{2-[(Acetylsulfanyl)methyl]phenyl}propanoic acid
Benzenepropanoic acid, 2-[(acetylthio)methyl]-

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
387.9±30.0 °C at 760 mmHg

[ Melting Point ]:
39 °C

[ Molecular Formula ]:
C12H14O3S

[ Molecular Weight ]:
238.303

[ Flash Point ]:
188.4±24.6 °C

[ Exact Mass ]:
238.066360

[ PSA ]:
79.67000

[ LogP ]:
2.12

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.577

MSDS

Click to get detail MSDS

Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Benzylacrylicacid
  • Thioacetic acid
  • Diethyl benzylmalonate
  • Benzylmalonic Acid

DownStream

  • S-(2-benzyl-3-chloro-3-oxopropyl) ethanethioate

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

  • 3-(Acetylsulfanyl)-2-benzylpropanoic acid
  • (S)-2-acetylthiomethyl-3-phenylpropanoic acid
  • 3-acetylsulfanyl-2-cyclopentylpropionic acid tert-butyl ester
  • 3-Amino-2-benzylpropanoic acid
  • 3-acetylsulfanyl-2-(acetylsulfanylmethyl)propanoic acid
  • 3-acetylsulfanyl-2-bromo-propanamide
  • 2,4-Difluoro-6-(2-sulfanylethyl)phenol
  • rac-1-[(3R,4R)-3-(2-aminoethyl)-4-methylpyrrolidin-1-yl]-2-methylpropan-1-one
  • rac-(1R,2R)-2-(2-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid
  • 3-(chloromethyl)-4-methyl-1-(propan-2-yl)-1H-pyrazole
  • 3-Fluoro-3-(4-methoxypyridin-2-yl)propan-1-amine
  • 1-((R)-Azetidin-2-yl)ethan-1-ol
  • 5-((5R)-5-Methyltetrahydrofuran-2-yl)isoxazole-3-carboxylic acid
  • Methyl 3-amino-3-(3-chloro-4-fluoro-2-methoxyphenyl)propanoate
  • 8-Ethyl-3-hydrazinyl-2-methylquinoline
  • Tert-butyl 3-(2-amino-2-methylpropyl)morpholine-4-carboxylate
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