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Home > Imidazoles > 265986-76-3
265986-76-3 | 1H-Imidazole-2-sulfinic acid, 1-methyl-
CAS No: 265986-76-3 Catalog No: AG002TTR MDL No:
Product Description
Catalog Number:
AG002TTR
Chemical Name:
1H-Imidazole-2-sulfinic acid, 1-methyl-
CAS Number:
265986-76-3
Molecular Formula:
C4H6N2O2S
Molecular Weight:
146.1676
IUPAC Name:
1-methylimidazole-2-sulfinic acid
InChI:
InChI=1S/C4H6N2O2S/c1-6-3-2-5-4(6)9(7)8/h2-3H,1H3,(H,7,8)
InChI Key:
YSQRUVQCBNCPGM-UHFFFAOYSA-N
SMILES:
OS(=O)c1nccn1C
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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