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Home Nitriles 1,3-Benzothiazole-2-carbonitrile

1,3-Benzothiazole-2-carbonitrile

CAS No.:
2602-85-9
Catalog Number:
AG007MU3
Molecular Formula:
C8H4N2S
Molecular Weight:
160.1958
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
95%
In Stock USA
United States
$275
- +
1g
95%
In Stock USA
United States
$338
- +
Product Description
Catalog Number:
AG007MU3
Chemical Name:
1,3-Benzothiazole-2-carbonitrile
CAS Number:
2602-85-9
Molecular Formula:
C8H4N2S
Molecular Weight:
160.1958
MDL Number:
MFCD08848199
IUPAC Name:
1,3-benzothiazole-2-carbonitrile
InChI:
InChI=1S/C8H4N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H
InChI Key:
UYHQUNLVWOAJQW-UHFFFAOYSA-N
SMILES:
N#Cc1nc2c(s1)cccc2
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.01g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.194g/mol
Monoisotopic Mass:
160.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
A biocompatible in vivo ligation reaction and its application for noninvasive bioluminescent imaging of protease activity in living mice. ACS chemical biology 20130517
Efficient method for site-specific 18F-labeling of biomolecules using the rapid condensation reaction between 2-cyanobenzothiazole and cysteine. Bioconjugate chemistry 20120919
Genetically encoded 1,2-aminothiols facilitate rapid and site-specific protein labeling via a bio-orthogonal cyanobenzothiazole condensation. Journal of the American Chemical Society 20110803
A biocompatible condensation reaction for controlled assembly of nanostructures in living cells. Nature chemistry 20100101
Properties