Home Nitriles Isothiazole-4-carbonitrile

Isothiazole-4-carbonitrile

CAS No.:
3912-37-6
Catalog Number:
AG00CKZO
Molecular Formula:
C4H2N2S
Molecular Weight:
110.1371
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$414
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Product Description
Catalog Number:
AG00CKZO
Chemical Name:
Isothiazole-4-carbonitrile
CAS Number:
3912-37-6
Molecular Formula:
C4H2N2S
Molecular Weight:
110.1371
MDL Number:
MFCD00046084
IUPAC Name:
1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C4H2N2S/c5-1-4-2-6-7-3-4/h2-3H
InChI Key:
OCYPFRDEUKBLNI-UHFFFAOYSA-N
SMILES:
N#Cc1csnc1
NSC Number:
625191
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:
0.7  
Properties