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
  • N-(1,3-benzothiazol-2-yl)-4-chloro-3-(1,1-dioxido-1,2-thiazinan-2-yl)benzamide
  • N-[4-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]-4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide
  • N-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
  • [4-(4-fluorophenyl)piperazin-1-yl][4-(5-methyl-1H-tetrazol-1-yl)phenyl]methanone
  • N-(4-Bromobenzoyl)-N-cyclopropylglycine
  • 2-[3-(2-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(2,4-dimethoxyphenyl)acetamide
  • 2-phenyl-N-[2-(pyridin-3-yl)-1H-benzimidazol-5-yl]acetamide
  • N-[3-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]-2-(5-methoxy-1H-indol-1-yl)acetamide
  • 2-(7,8-dimethoxy-1-oxophthalazin-2(1H)-yl)-N-[(2Z)-3,4,5,6,7,8-hexahydro-2H-cyclohepta[d][1,3]thiazol-2-ylidene]acetamide
  • 4-(4-fluorophenyl)-N-{2-[(2-methoxybenzyl)amino]-2-oxoethyl}piperazine-1-carboxamide
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