Name: 3-methyl-4-cyano-5-methylsulfonylisothiazole
SMILES:
Cc1nsc(S(C)(=O)=O)c1C#NMolecular Processing
Molecular formula
C6H6N2O2S2
Molecular weight
202.26
Exact mass
201.9871
XLogP
0.73
TPSA
70.82
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
44.68
Supplementary Information
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