Home Nitriles 1,1-dioxo-1lambda6-benzothiophene-5-carbonitrile

1,1-dioxo-1lambda6-benzothiophene-5-carbonitrile

CAS No.:
1394040-24-4
Catalog Number:
AG019ZH3
Molecular Formula:
C9H5NO2S
Molecular Weight:
191.2065
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Product Description
Catalog Number:
AG019ZH3
Chemical Name:
1,1-dioxo-1lambda6-benzothiophene-5-carbonitrile
CAS Number:
1394040-24-4
Molecular Formula:
C9H5NO2S
Molecular Weight:
191.2065
MDL Number:
MFCD20259134
IUPAC Name:
1,1-dioxo-1-benzothiophene-5-carbonitrile
InChI:
InChI=1S/C9H5NO2S/c10-6-7-1-2-9-8(5-7)3-4-13(9,11)12/h1-5H
InChI Key:
YXJNIKPFEFOXKV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)C=CS2(=O)=O
Properties
Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.004g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.204g/mol
Monoisotopic Mass:
191.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties