Home Other Building Blocks 3-Isothiocyanatopyridine

3-Isothiocyanatopyridine

CAS No.:
17452-27-6
Catalog Number:
AG001ZQP
Molecular Formula:
C6H4N2S
Molecular Weight:
136.1744
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$38
- +
25g
98%
In Stock USA
United States
$132
- +
100g
98%
In Stock USA
United States
$494
- +
Product Description
Catalog Number:
AG001ZQP
Chemical Name:
3-Isothiocyanatopyridine
CAS Number:
17452-27-6
Molecular Formula:
C6H4N2S
Molecular Weight:
136.1744
MDL Number:
MFCD00052351
IUPAC Name:
3-isothiocyanatopyridine
InChI:
InChI=1S/C6H4N2S/c9-5-8-6-2-1-3-7-4-6/h1-4H
InChI Key:
VMSZFBSYWXMXRF-UHFFFAOYSA-N
SMILES:
S=C=Nc1cccnc1
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.01g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.172g/mol
Monoisotopic Mass:
136.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Isothiocyanates as derivatization reagents for amines in liquid chromatography/electrospray ionization-tandem mass spectrometry. Biomedical chromatography : BMC 20100901
Properties