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40736-26-3 | 1-(Methylsulfonyl);-1H-imidazole
CAS No: 40736-26-3 Catalog No: AG003T5G MDL No:MFCD00014496
Product Description
Catalog Number:
AG003T5G
Chemical Name:
1-(Methylsulfonyl);-1H-imidazole
CAS Number:
40736-26-3
Molecular Formula:
C4H6N2O2S
Molecular Weight:
146.1676
MDL Number:
MFCD00014496
IUPAC Name:
1-methylsulfonylimidazole
InChI:
InChI=1S/C4H6N2O2S/c1-9(7,8)6-3-2-5-4-6/h2-4H,1H3
InChI Key:
ZBHRCOWHFHJZFP-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)n1cncc1
EC Number:
255-058-1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.015g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.164g/mol
Monoisotopic Mass:
146.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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