Home Sulfos 1H-Benzimidazole,2-(methylsulfonyl)-(9CI)

1H-Benzimidazole,2-(methylsulfonyl)-(9CI)

CAS No.:
57159-81-6
Catalog Number:
AG00EIWA
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
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Product Description
Catalog Number:
AG00EIWA
Chemical Name:
1H-Benzimidazole,2-(methylsulfonyl)-(9CI)
CAS Number:
57159-81-6
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
IUPAC Name:
2-methylsulfonyl-1H-benzimidazole
InChI:
InChI=1S/C8H8N2O2S/c1-13(11,12)8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3,(H,9,10)
InChI Key:
LEEMFGGMWJGRQO-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1nc2c([nH]1)cccc2
NSC Number:
191930
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.031g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.224g/mol
Monoisotopic Mass:
196.031g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties