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Home > Imidazoles > 1849345-81-8
1849345-81-8 | SODIUM 2-METHYL-1H-IMIDAZOLE-5-SULFINATE
CAS No: 1849345-81-8 Catalog No: AG01C8AP MDL No:MFCD24598459
Product Description
Catalog Number:
AG01C8AP
Chemical Name:
SODIUM 2-METHYL-1H-IMIDAZOLE-5-SULFINATE
CAS Number:
1849345-81-8
Molecular Formula:
C4H5N2NaO2S
Molecular Weight:
168.1495
MDL Number:
MFCD24598459
IUPAC Name:
sodium;2-methyl-1H-imidazole-5-sulfinate
InChI:
InChI=1S/C4H6N2O2S.Na/c1-3-5-2-4(6-3)9(7)8;/h2H,1H3,(H,5,6)(H,7,8);/q;+1/p-1
InChI Key:
NUCWTKFFHRFYHA-UHFFFAOYSA-M
SMILES:
[O-]S(=O)c1cnc([nH]1)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:
1
Isotope Atom Count:
0
Molecular Weight:
168.146g/mol
Monoisotopic Mass:
167.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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