Benzenepropanoic ac...

Benzenepropanoic acid, b-(phenylthio)- 5425-50-3

Benzenepropanoic acid, b-(phenylthio)- 5425-50-3

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
  • Payment Terms : L/C,T/T,

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Benzenepropanoic acid, b-(phenylthio)- 5425-50-3 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:Room Temperature
  • Transportation:as requested

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Details:

【Name】
Benzenepropanoic acid, b-(phenylthio)-
【Iupac name】
3-phenyl-3-phenylsulfanylpropanoic acid
【CAS Registry number】
5425-50-3
【Synonyms】
Hydrocinnamicacid, b-(phenylthio)- (8CI)
3-Phenyl-3-(phenylthio)propionic acid
NSC 12770
NSC 208863
【Molecular Formula】
C15H14 O2 S (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C15H14O2S/c16-15(17)11-14(12-7-3-1-4-8-12)18-13-9-5-2-6-10-13/h1-10,14H,11H2,(H,16,17)
【Canonical SMILES】
C1=CC=C(C=C1)C(CC(=O)O)SC2=CC=CC=C2
【MOL File】
5425-50-3.mol
Chemical and Physical Properties
【Density】
1.23g/cm3
【Boiling Point】
413.1°C at 760 mmHg
【Refractive Index】
1.637
【Flash Point】
203.6°C
【Computed Properties】
Molecular Weight:258.33546 [g/mol]
Molecular Formula:C15H14O2S
XLogP3-AA:3.5
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:5
Exact Mass:258.07145
MonoIsotopic Mass:258.07145
Topological Polar Surface Area:62.6
Heavy Atom Count:18
Formal Charge:0
Complexity:255
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Anion Count:1
Feature 3D Ring Count:2
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:29

 

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