2-THIOBENZYL NICOTINIC ACID

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Names

[ CAS No. ]:
112811-90-2

[ Name ]:
2-THIOBENZYL NICOTINIC ACID

[Synonym ]:
3-Pyridinecarboxylic acid, (6-thioxo-1,3-cyclohexadien-1-yl)methyl ester
MFCD00661380
2-Benzylsulfanyl-nicotinic acid
2-(Benzylthio)pyridine-3-carboxylic Acid
2-THIOBENZYL NICOTINIC ACID
(6-Thioxocyclohexa-1,3-dien-1-yl)methyl nicotinate
2-(Benzylsulfanyl)nicotinic acid
3-Pyridinecarboxylic acid, 2-[(phenylmethyl)thio]-
2-(Benzylthio)nicotinic Acid
(6-Thioxo-1,3-cyclohexadien-1-yl)methyl nicotinate
2-benzyl thio acid

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
416.8±55.0 °C at 760 mmHg

[ Melting Point ]:
188-190ºC

[ Molecular Formula ]:
C13H11NO2S

[ Molecular Weight ]:
245.297

[ Flash Point ]:
205.8±31.5 °C

[ Exact Mass ]:
245.051056

[ PSA ]:
75.49000

[ LogP ]:
1.64

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.634

MSDS

Click to get detail MSDS

Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2933399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-MERCAPTONICOTINIC ACID
  • Benzyl chloride
  • 2-benzylsulfanylpyridine-3-carbonitrile
  • 2-Chloronicotinic acid
  • benzylthiol

DownStream

  • 2-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one
  • 2-(Benzylthio)-N,N-dimethylnicotinamide

Customs

[ HS Code ]: 2933399090

[ Summary ]:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • (phenylthio-4-phenylamino)-2-nicotinic acid
  • 5-acetylamino-5-trimethylsilanylethynyl-2-nicotinic acid methyl ester
  • 2-propoxy nicotinic acid
  • 2-(Aminomethyl)nicotinic acid
  • 2-(cyclohexyloxy)nicotinic acid
  • 2-(Diethylamino)nicotinic acid
  • 2-[3-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]-3-hydroxy-2-methylpropanoic acid
  • (2S,3R)-3-(benzyloxy)-2-{2-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)oxan-4-yl]acetamido}butanoic acid
  • (2S,3R)-3-(benzyloxy)-2-{[(1RS,2SR)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopentyl]formamido}butanoic acid
  • (2S,3R)-3-(benzyloxy)-2-[2-cyclobutyl-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]butanoic acid
  • 4-[(2R,3S)-3-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]-3-hydroxybutanoic acid
  • 1-[(2R,3S)-3-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoyl]-3-methoxypyrrolidine-3-carboxylic acid
  • 2-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylbutanamido]-2-methylbutanoic acid
  • 2-{[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylbutanamido]methyl}butanoic acid
  • 3-{2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-4-methylpentanamido}propanoic acid
  • 1-{[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylbutanamido]methyl}cyclopropane-1-carboxylic acid
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