Acetyl chloride,2-(...

Acetyl chloride,2-(4-pyridinylthio)- 52998-13-7

Acetyl chloride,2-(4-pyridinylthio)- 52998-13-7

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  • Purity: 99%
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Acetyl chloride,2-(4-pyridinylthio)- 52998-13-7 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:

Identification and Related Records
【Name】
Acetyl chloride,2-(4-pyridinylthio)-
【CAS Registry number】
52998-13-7
【Synonyms】
(4-Pyridylthio)acetyl chloride
(Pyridin-4-ylsulfanyl)acetyl chloride
【EINECS(EC#)】
258-287-5
【Molecular Formula】
C7H6ClNOS (Products with the same molecular formula)
【Molecular Weight】
171.65
【Inchi】
InChI=1/C7H6ClNOS/c8-7(10)5-11-6-1-3-9-4-2-6/h1-4H,5H2
【Canonical SMILES】
C1=CN=CC=C1SCC(=O)Cl
【MOL File】
52998-13-7.mol
Chemical and Physical Properties
【Density】
1.35g/cm3
【Boiling Point】
279.5°Cat760mmHg
【Refractive Index】
1.59
【Flash Point】
122.8°C
【Computed Properties】
Molecular Weight:187.64664 [g/mol]
Molecular Formula:C7H6ClNOS
XLogP3-AA:1.9
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:3
Exact Mass:186.985862
MonoIsotopic Mass:186.985862
Topological Polar Surface Area:55.3
Heavy Atom Count:11
Formal Charge:0
Complexity:136
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:28

 

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