17452-27-6,MFCD00052351
Catalog No.:AA001ZNX

17452-27-6 | 3-Isothiocyanatopyridine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$25.00   $18.00
- +
5g
98%
in stock  
$59.00   $42.00
- +
25g
98%
in stock  
$178.00   $125.00
- +
100g
98%
in stock  
$639.00 $447.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001ZNX
Chemical Name:
3-Isothiocyanatopyridine
CAS Number:
17452-27-6
Molecular Formula:
C6H4N2S
Molecular Weight:
136.1744
MDL Number:
MFCD00052351
SMILES:
S=C=Nc1cccnc1
Properties
Properties
 
BP:
253.8°C at 760 mmHg  
Form:
Liquid  
Refractive Index:
n20/D 1.665(lit.)  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
129  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.3  

Literature

Title: Isothiocyanates as derivatization reagents for amines in liquid chromatography/electrospray ionization-tandem mass spectrometry.

Journal: Biomedical chromatography : BMC 20100901

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SDS
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Tags:17452-27-6 Molecular Formula|17452-27-6 MDL|17452-27-6 SMILES|17452-27-6 3-Isothiocyanatopyridine
Catalog No.: AA001ZNX
17452-27-6,MFCD00052351
17452-27-6 | 3-Isothiocyanatopyridine
Pack Size: 1g
Purity: 97%
in stock
$25.00 $18.00
Pack Size: 5g
Purity: 98%
in stock
$59.00 $42.00
Pack Size: 25g
Purity: 98%
in stock
$178.00 $125.00
Pack Size: 100g
Purity: 98%
in stock
$639.00 $447.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001ZNX
Chemical Name: 3-Isothiocyanatopyridine
CAS Number: 17452-27-6
Molecular Formula: C6H4N2S
Molecular Weight: 136.1744
MDL Number: MFCD00052351
SMILES: S=C=Nc1cccnc1
Properties
BP: 253.8°C at 760 mmHg  
Form: Liquid  
Refractive Index: n20/D 1.665(lit.)  
Storage: Inert atmosphere;2-8℃;  
Complexity: 129  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.3  
Literature fold

Title: Isothiocyanates as derivatization reagents for amines in liquid chromatography/electrospray ionization-tandem mass spectrometry.

Journal: Biomedical chromatography : BMC20100901

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