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53918-03-9 | sodium 2-mercapto-1H-benzo[d]imidazole-5-sulfonate
CAS No: 53918-03-9 Catalog No: AG01CB1M MDL No:MFCD00142935
Product Description
Catalog Number:
AG01CB1M
Chemical Name:
sodium 2-mercapto-1H-benzo[d]imidazole-5-sulfonate
CAS Number:
53918-03-9
Molecular Formula:
C7H5N2NaO3S2
Molecular Weight:
252.2460
MDL Number:
MFCD00142935
IUPAC Name:
sodium;2-sulfanylidene-1,3-dihydrobenzimidazole-5-sulfonate
InChI:
InChI=1S/C7H6N2O3S2.Na/c10-14(11,12)4-1-2-5-6(3-4)9-7(13)8-5;/h1-3H,(H2,8,9,13)(H,10,11,12);/q;+1/p-1
InChI Key:
AMZPPWFHMNMIEI-UHFFFAOYSA-M
SMILES:
Sc1[nH]c2c(n1)cc(cc2)S(=O)(=O)[O-].[Na+]
EC Number:
258-862-0
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.964g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.238g/mol
Monoisotopic Mass:
251.964g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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