4-CYANO-4-(THIOBENZOYLTHIO)PENTANOIC ACID

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Names

[ CAS No. ]:
201611-92-9

[ Name ]:
4-CYANO-4-(THIOBENZOYLTHIO)PENTANOIC ACID

[Synonym ]:
4-Cyano-4-(thiobenzoylthio)pentanoic acid
YNKQCPNHMVAWHN-UHFFFAOYSA
6-Phenyl-6-thioxo-5-thia-4-cyano-4-methylhexanoic acid

Chemical & Physical Properties

[ Density]:
1.309g/cm3

[ Boiling Point ]:
473.01ºC at 760 mmHg

[ Melting Point ]:
97 °C

[ Molecular Formula ]:
C13H13NO2S2

[ Molecular Weight ]:
279.37800

[ Flash Point ]:
239.868ºC

[ Exact Mass ]:
279.03900

[ PSA ]:
118.48000

[ LogP ]:
3.24238

[ Vapour Pressure ]:
0mmHg at 25°C

[ Index of Refraction ]:
1.632

MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H317

[ Precautionary Statements ]:
P280

[ Hazard Codes ]:
Xi

[ RIDADR ]:
NONH for all modes of transport

[ HS Code ]:
2930909090

Synthetic Route

Precursor & DownStream

Precursor

  • di-(Thiobenzoyl) disulfide
  • 4,4'-Azobis(4-cyanovaleric acid)
  • dithiobenzoic acid
  • dithiobenzoic acid sodium salt
  • Benzyl chloride
  • 4,4'-(diazene-1,2-diyl)bis(4-cyano-N-(2-((2-isobutyl-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl)amino)ethyl)pentanamide)
  • Bromobenzene

DownStream

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%

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Related Compounds

  • 4-cyano-4-(diethylcarbamothioylsulfanyl)pentanoic acid
  • 4-Cyano-4-[(1,1-dimethylethyl)azo]pentanoic acid
  • 4-cyano-4-[[[(2-phenylethyl)thio]thioxomethyl]thio]-Pentanoic acid
  • 4-Cyano-4-(((ethylthio)carbonothioyl)thio)pentanoic acid
  • (4-methylphenyl) 4-cyano-4-methyl-2-methylidenepentanoate
  • Benzenebutanoic acid, g-cyano-3-methoxy-g-methyl-
  • 1-[(4-Chlorophenyl)methyl]-4-[(oxan-4-yl)methyl]-1,2,3,4-tetrahydropyrazine-2,3-dione
  • 2-Azido-2-{imidazo[1,2-a]pyridin-3-yl}ethan-1-ol
  • 2-NO2-4-CF3-C6H3Nhn=C(CN)coome
  • 2-Pentylcyclobutan-1-ol
  • 2-[4-(6-Chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethan-1-one
  • 8-Bromo-2,4,7-trichloro-6-iodo-3-nitroquinoline
  • 1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-4-(propan-2-yl)-1,2,3,4-tetrahydropyrazine-2,3-dione
  • 1-(4-Ethoxyphenyl)-4-[(oxan-4-yl)methyl]-1,2,3,4-tetrahydropyrazine-2,3-dione
  • Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-6-(hydroxymethyl)-6,7b-dimethyl-1H-cyclobut[e]inden-2-yl ester, (2I+/-,2aI(2),4aI+/-,6I+/-,7I(2),7aI+/-,7bI(2))-(+)-
  • 1H,3H,4H-Furo[3a(2),2a(2):7,8]oxireno[4,4a]anthra[1,9-cd]pyran-1,8,11(3aH,9H)-trione, 3-(3-furanyl)-5,5a,7,7a,9a,10,12a,12b-octahydro-7a,12b-dihydroxy-3a,9,9,12a-tetramethyl-, (3R,3aR,5aR,6aS,7aR,9aS,12aS,12bS)-
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