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591-82-2,MFCD00022062
Catalog No.:AA003QZZ

591-82-2 | ISOBUTYL ISOTHIOCYANATE

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
in stock  
$174.00   $122.00
- +
25g
in stock  
$278.00   $195.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003QZZ
Chemical Name:
ISOBUTYL ISOTHIOCYANATE
CAS Number:
591-82-2
Molecular Formula:
C5H9NS
Molecular Weight:
115.1967
MDL Number:
MFCD00022062
SMILES:
CC(CN=C=S)C
FEMA Number:
4424
Properties
Properties
 
BP:
160.0°C  
Form:
Liquid  
Storage:
2-8℃;Inert atmosphere;  

Computed Properties
 
Complexity:
82.1  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.8  

Literature

Title: Differences in volatile profiles of turnip plants subjected to single and dual herbivory above- and belowground.

Journal: Journal of chemical ecology 20110401

Title: Trypanocidal and antileukaemic effects of the essential oils of Hagenia abyssinica, Leonotis ocymifolia, Moringa stenopetala, and their main individual constituents.

Journal: Phytomedicine : international journal of phytotherapy and phytopharmacology 20101001

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SDS
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Tags:591-82-2 Molecular Formula|591-82-2 MDL|591-82-2 SMILES|591-82-2 ISOBUTYL ISOTHIOCYANATE
Catalog No.: AA003QZZ
591-82-2,MFCD00022062
591-82-2 | ISOBUTYL ISOTHIOCYANATE
Pack Size： 5g
Purity：
in stock
$174.00 $122.00
Pack Size： 25g
Purity：
in stock
$278.00 $195.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003QZZ
Chemical Name: ISOBUTYL ISOTHIOCYANATE
CAS Number: 591-82-2
Molecular Formula: C5H9NS
Molecular Weight: 115.1967
MDL Number: MFCD00022062
SMILES: CC(CN=C=S)C
FEMA Number: 4424
Properties
BP: 160.0°C  
Form: Liquid  
Storage: 2-8℃;Inert atmosphere;  
Complexity: 82.1  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 7  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.8  
Literature fold

Title: Differences in volatile profiles of turnip plants subjected to single and dual herbivory above- and belowground.

Journal: Journal of chemical ecology20110401

Title: Trypanocidal and antileukaemic effects of the essential oils of Hagenia abyssinica, Leonotis ocymifolia, Moringa stenopetala, and their main individual constituents.

Journal: Phytomedicine : international journal of phytotherapy and phytopharmacology20101001

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