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Home > Encyclopedia > 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid

4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid

4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid structure

4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid 

structure
  • CAS No:

    201611-92-9

  • Formula:

    C13H13NO2S2

  • Chemical Name:

    4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid

  • Synonyms:

    YNKQCPNHMVAWHN-UHFFFAOYSA; 4-Cyano-4-(thiobenzoylthio)pentanoic acid; 6-Phenyl-6-thioxo-5-thia-4-cyano-4-methylhexanoic acid;

  • Categories:

    Specialty Chemicals

4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid Basic Attributes

279.37800

279.03877100

DTXSID20432869

2930909090

Characteristics

118.48000

3.24238

1.309g/cm3

473.01ºC at 760 mmHg

239.868ºC

1.632

0mmHg at 25°C

Safety Information

P280

H317

Computed Properties

Molecular Weight:279.4
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:279.03877100
Monoisotopic Mass:279.03877100
Topological Polar Surface Area:119
Heavy Atom Count:18
Complexity:368
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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