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Home > Encyclopedia > 3-(Phenylthio)propanoic acid

3-(Phenylthio)propanoic acid

3-(Phenylthio)propanoic acid structure

3-(Phenylthio)propanoic acid 

structure
  • CAS No:

    5219-65-8

  • Formula:

    C9H10O2S

  • Chemical Name:

    3-(Phenylthio)propanoic acid

  • Synonyms:

    Propanoic acid,3-(phenylthio)-;Propionic acid,3-(phenylthio)-;3-(Phenylthio)propanoic acid;3-(Phenylthio)propionic acid;4-Phenyl-4-thiabutanoic acid;NSC 14777;NSC 8542;3-(Phenylsulfanyl)propanoic acid

  • Categories:

    Chemical Reagents  >  Organic Reagents

3-(Phenylthio)propanoic acid Basic Attributes

182.23900

182.24

14777|8542

DTXSID80278629

2930909090

Characteristics

62.60000

2.25340

1.22g/cm3

58 °C

184 °C @ Press: 10 Torr

159ºC

Safety Information

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:182.24
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:182.04015073
Monoisotopic Mass:182.04015073
Topological Polar Surface Area:62.6
Heavy Atom Count:12
Complexity:142
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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