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59121-25-4,MFCD14684515
Catalog No.:AA00F208

59121-25-4 | 5-(methylthio)-valeronitrile,5-(methylthio)-pentanenitrile,1-cyano-4-(methylthio)butane,5-methylthiopentanenitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
10mg
98%
2 weeks  
$141.00   $99.00
- +
100mg
≥98%
2 weeks  
$1,332.00   $932.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00F208
Chemical Name:
5-(methylthio)-valeronitrile,5-(methylthio)-pentanenitrile,1-cyano-4-(methylthio)butane,5-methylthiopentanenitrile
CAS Number:
59121-25-4
Molecular Formula:
C6H11NS
Molecular Weight:
129.2232
MDL Number:
MFCD14684515
SMILES:
CSCCCCC#N
Properties
Properties
 
Storage:
2-8℃;  

Computed Properties
 
Complexity:
81.8  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.3  

Downstream Synthesis Route

[1]Locationinpatent:experimentalpartMoon,Joon-Kwan;Kim,Jun-Ran;Ahn,Young-Joon;Shibamoto,Takayuki[JournalofAgriculturalandFoodChemistry,2010,vol.58,#11,p.6672-6677]

[2]Kjaeretal.[ActaChemicaScandinavica(1947),1955,vol.9,p.1311,1315]

Literature

Title: Phytochemical analysis and antimicrobial activity of Cardaria draba (L.) Desv. volatiles.

Journal: Chemistry & biodiversity 20110601

Title: Aroma compound analysis of Eruca sativa (Brassicaceae) SPME headspace leaf samples using GC, GC-MS, and olfactometry.

Journal: Journal of agricultural and food chemistry 20020731

Quotation Request
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SDS
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Tags:59121-25-4 Molecular Formula|59121-25-4 MDL|59121-25-4 SMILES|59121-25-4 5-(methylthio)-valeronitrile,5-(methylthio)-pentanenitrile,1-cyano-4-(methylthio)butane,5-methylthiopentanenitrile
Catalog No.: AA00F208
59121-25-4,MFCD14684515
59121-25-4 | 5-(methylthio)-valeronitrile,5-(methylthio)-pentanenitrile,1-cyano-4-(methylthio)butane,5-methylthiopentanenitrile
Pack Size： 10mg
Purity： 98%
2 weeks
$141.00 $99.00
Pack Size： 100mg
Purity： ≥98%
2 weeks
$1,332.00 $932.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00F208
Chemical Name: 5-(methylthio)-valeronitrile,5-(methylthio)-pentanenitrile,1-cyano-4-(methylthio)butane,5-methylthiopentanenitrile
CAS Number: 59121-25-4
Molecular Formula: C6H11NS
Molecular Weight: 129.2232
MDL Number: MFCD14684515
SMILES: CSCCCCC#N
Properties
Storage: 2-8℃;  
Complexity: 81.8  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 8  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.3  
Downstream Synthesis Route
59121-25-4    55021-78-8 

[1]Locationinpatent:experimentalpartMoon,Joon-Kwan;Kim,Jun-Ran;Ahn,Young-Joon;Shibamoto,Takayuki[JournalofAgriculturalandFoodChemistry,2010,vol.58,#11,p.6672-6677]

[2]Kjaeretal.[ActaChemicaScandinavica(1947),1955,vol.9,p.1311,1315]

Literature fold

Title: Phytochemical analysis and antimicrobial activity of Cardaria draba (L.) Desv. volatiles.

Journal: Chemistry & biodiversity20110601

Title: Aroma compound analysis of Eruca sativa (Brassicaceae) SPME headspace leaf samples using GC, GC-MS, and olfactometry.

Journal: Journal of agricultural and food chemistry20020731

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