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497931-76-7

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497931-76-7 Structure

497931-76-7 Structure
IdentificationBack Directory
[Name]

Propanoic acid, 3-[[[(phenylmethyl)thio]thioxomethyl]thio]-
[CAS]

497931-76-7
[Synonyms]

3-benzylsulfanylcarbothioylsulfanylpropanoic acid
3-[[(Benzylthio)carbonothioyl]thio]propionic Acid
3-(Benzylsulfanylthiocarbonylsulfanyl)propionic acid
3-[[[(phenylmethyl)thio]thioxomethyl]thio]-propanoic acid
Propanoic acid, 3-[[[(phenylmethyl)thio]thioxomethyl]thio]-
[Molecular Formula]

C11H12O2S3
[MOL File]

497931-76-7.mol
[Molecular Weight]

272.41
Chemical PropertiesBack Directory
[Melting point ]

86-88 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
[Boiling point ]

500.5±39.0 °C(Predicted)
[density ]

1.366±0.06 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[form ]

powder to crystal
[pka]

4.02±0.10(Predicted)
[color ]

White to Yellow to Orange
[InChI]

InChI=1S/C11H12O2S3/c12-10(13)6-7-15-11(14)16-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
[InChIKey]

IJPDPFXRBLNDPQ-UHFFFAOYSA-N
[SMILES]

C(O)(=O)CCSC(SCC1=CC=CC=C1)=S
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard InformationBack Directory
[Uses]

Propanoic acid, 3-[[[(phenylmethyl)thio]thioxomethyl]thio]- is used as application as a functional RAFT reagent.
Spectrum DetailBack Directory
[Spectrum Detail]

Propanoic acid, 3-[[[(phenylmethyl)thio]thioxomethyl]thio]-(497931-76-7)1HNMR
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