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205311-74-6 | 1H-Imidazole, 2-methyl-5-(methylsulfonyl)-
CAS No: 205311-74-6 Catalog No: AG0029ZK MDL No:
Product Description
Catalog Number:
AG0029ZK
Chemical Name:
1H-Imidazole, 2-methyl-5-(methylsulfonyl)-
CAS Number:
205311-74-6
Molecular Formula:
C5H8N2O2S
Molecular Weight:
160.1942
IUPAC Name:
2-methyl-5-methylsulfonyl-1H-imidazole
InChI:
InChI=1S/C5H8N2O2S/c1-4-6-3-5(7-4)10(2,8)9/h3H,1-2H3,(H,6,7)
InChI Key:
FOLDOTRVHQHDLL-UHFFFAOYSA-N
SMILES:
Cc1ncc([nH]1)S(=O)(=O)C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.031g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.191g/mol
Monoisotopic Mass:
160.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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