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Home > Imidazoles > 1861353-54-9
1861353-54-9 | sodium 1-methyl-1H-imidazole-4-sulfinate
CAS No: 1861353-54-9 Catalog No: AG01C86E MDL No:MFCD31440846
Product Description
Catalog Number:
AG01C86E
Chemical Name:
sodium 1-methyl-1H-imidazole-4-sulfinate
CAS Number:
1861353-54-9
Molecular Formula:
C4H5N2NaO2S
Molecular Weight:
168.1495
MDL Number:
MFCD31440846
IUPAC Name:
sodium;1-methylimidazole-4-sulfinate
InChI:
InChI=1S/C4H6N2O2S.Na/c1-6-2-4(5-3-6)9(7)8;/h2-3H,1H3,(H,7,8);/q;+1/p-1
InChI Key:
YKBSJEGJFBUVPO-UHFFFAOYSA-M
SMILES:
[O-]S(=O)c1cn(cn1)C.[Na+]
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.997g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.146g/mol
Monoisotopic Mass:
167.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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