Home Nitriles Isothiazole-3-carbonitrile

Isothiazole-3-carbonitrile

CAS No.:
1452-17-1
Catalog Number:
AG006UWF
Molecular Formula:
C4H2N2S
Molecular Weight:
110.1371
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Product Description
Catalog Number:
AG006UWF
Chemical Name:
Isothiazole-3-carbonitrile
CAS Number:
1452-17-1
Molecular Formula:
C4H2N2S
Molecular Weight:
110.1371
MDL Number:
MFCD15529707
IUPAC Name:
1,2-thiazole-3-carbonitrile
InChI:
InChI=1S/C4H2N2S/c5-3-4-1-2-7-6-4/h1-2H
InChI Key:
RKKGUHKROGFETL-UHFFFAOYSA-N
SMILES:
c1csnc1C#N
Properties
Complexity:
104  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.994g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.134g/mol
Monoisotopic Mass:
109.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties