Home Sulfos Acetonitrile, 2-(2-thienylsulfonyl)-

Acetonitrile, 2-(2-thienylsulfonyl)-

CAS No.:
175137-62-9
Catalog Number:
AG0020CG
Molecular Formula:
C6H5NO2S2
Molecular Weight:
187.2394
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Product Description
Catalog Number:
AG0020CG
Chemical Name:
Acetonitrile, 2-(2-thienylsulfonyl)-
CAS Number:
175137-62-9
Molecular Formula:
C6H5NO2S2
Molecular Weight:
187.2394
MDL Number:
MFCD00067881
IUPAC Name:
2-thiophen-2-ylsulfonylacetonitrile
InChI:
InChI=1S/C6H5NO2S2/c7-3-5-11(8,9)6-2-1-4-10-6/h1-2,4H,5H2
InChI Key:
JWLFPYPXODBUFB-UHFFFAOYSA-N
SMILES:
N#CCS(=O)(=O)c1cccs1
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.976g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.231g/mol
Monoisotopic Mass:
186.976g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties