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Home > Imidazoles > 1854890-94-0
1854890-94-0 | 1-methyl-1H-imidazole-4-sulfinic acid
CAS No: 1854890-94-0 Catalog No: AG01C83T MDL No:
Product Description
Catalog Number:
AG01C83T
Chemical Name:
1-methyl-1H-imidazole-4-sulfinic acid
CAS Number:
1854890-94-0
Molecular Formula:
C4H6N2O2S
Molecular Weight:
146.1676
IUPAC Name:
1-methylimidazole-4-sulfinic acid
InChI:
InChI=1S/C4H6N2O2S/c1-6-2-4(5-3-6)9(7)8/h2-3H,1H3,(H,7,8)
InChI Key:
ZAWMRXGTEHORQD-UHFFFAOYSA-N
SMILES:
Cn1cc(nc1)S(=O)O
Properties
Complexity:
130
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.164g/mol
Monoisotopic Mass:
146.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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