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6097-26-3,MFCD01332833
Catalog No.:AA00EDA6

6097-26-3 | 4-Methoxyphenacyl thiocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$28.00   $20.00
- +
1g
95%
in stock  
$68.00   $48.00
- +
5g
95%
in stock  
$154.00   $108.00
- +
25g
95%
in stock  
$743.00 $520.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00EDA6
Chemical Name:
4-Methoxyphenacyl thiocyanate
CAS Number:
6097-26-3
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
MDL Number:
MFCD01332833
SMILES:
COc1ccc(cc1)C(=O)CSC#N
Properties
Properties
 
Form:
Solid  

Computed Properties
 
Complexity:
238  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.3  

Downstream Synthesis Route

[1]RocznikiChemii,1930,vol.10,p.555,561    ChemischesZentralblatt,1930,vol.101,p.3274

[2]JournaloftheAmericanChemicalSociety,1939,vol.61,p.1830

[1]Barianaetal.[JournaloftheIndianChemicalSociety,1955,vol.32,p.427,428,429]

[1]Delbecq,Frederic;Cordonnier,Guy;Pommery,Nicole;Barbry,Didier;Henichart,Jean-Pierre[BioorganicandMedicinalChemistryLetters,2004,vol.14,#5,p.1119-1121]

[2]Ralhan,N.K.etal.[JournaloftheIndianChemicalSociety,1960,vol.37,p.773-774]

[1]Vernin,G.;Metzger,J.[BulletindelaSocieteChimiquedeFrance,1963,p.2498-2503]

[2]Gullapalli,Kumaraswamy;Vijaykumar,Swargam[OrganicandBiomolecularChemistry,2019,vol.17,#8,p.2232-2241]

[1]Elnagdi,MohamedH.;Elghandour,AhmedHafezH.;Sadek,KamalU.[SpectrochimicaActaPartA:MolecularandBiomolecularSpectroscopy,1990,vol.46,#1,p.51-55]

Literature
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SDS
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Tags:6097-26-3 Molecular Formula|6097-26-3 MDL|6097-26-3 SMILES|6097-26-3 4-Methoxyphenacyl thiocyanate
Catalog No.: AA00EDA6
6097-26-3,MFCD01332833
6097-26-3 | 4-Methoxyphenacyl thiocyanate
Pack Size： 250mg
Purity： 95%
in stock
$28.00 $20.00
Pack Size： 1g
Purity： 95%
in stock
$68.00 $48.00
Pack Size： 5g
Purity： 95%
in stock
$154.00 $108.00
Pack Size： 25g
Purity： 95%
in stock
$743.00 $520.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00EDA6
Chemical Name: 4-Methoxyphenacyl thiocyanate
CAS Number: 6097-26-3
Molecular Formula: C10H9NO2S
Molecular Weight: 207.2490
MDL Number: MFCD01332833
SMILES: COc1ccc(cc1)C(=O)CSC#N
Properties
Form: Solid  
Complexity: 238  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.3  
Downstream Synthesis Route
41068-36-4    333-20-0    6097-26-3 

[1]RocznikiChemii,1930,vol.10,p.555,561    ChemischesZentralblatt,1930,vol.101,p.3274

[2]JournaloftheAmericanChemicalSociety,1939,vol.61,p.1830

6097-26-3    2104-01-0 

[1]Barianaetal.[JournaloftheIndianChemicalSociety,1955,vol.32,p.427,428,429]

6097-26-3    99073-84-4 

[1]Delbecq,Frederic;Cordonnier,Guy;Pommery,Nicole;Barbry,Didier;Henichart,Jean-Pierre[BioorganicandMedicinalChemistryLetters,2004,vol.14,#5,p.1119-1121]

[2]Ralhan,N.K.etal.[JournaloftheIndianChemicalSociety,1960,vol.37,p.773-774]

6097-26-3    2104-03-2 

[1]Vernin,G.;Metzger,J.[BulletindelaSocieteChimiquedeFrance,1963,p.2498-2503]

[2]Gullapalli,Kumaraswamy;Vijaykumar,Swargam[OrganicandBiomolecularChemistry,2019,vol.17,#8,p.2232-2241]

100-34-5    6097-26-3    128533-62-0 

[1]Elnagdi,MohamedH.;Elghandour,AhmedHafezH.;Sadek,KamalU.[SpectrochimicaActaPartA:MolecularandBiomolecularSpectroscopy,1990,vol.46,#1,p.51-55]

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