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207511-11-3 | 1H-Benzimidazole-5-sulfonic acid, 2,3-dihydro-2-thioxo-, sodium salt, hydrate (1:1:2)
CAS No: 207511-11-3 Catalog No: AG002J30 MDL No:MFCD00192260
Product Description
Catalog Number:
AG002J30
Chemical Name:
1H-Benzimidazole-5-sulfonic acid, 2,3-dihydro-2-thioxo-, sodium salt, hydrate (1:1:2)
CAS Number:
207511-11-3
Molecular Formula:
C7H9N2NaO5S2
Molecular Weight:
288.2765
MDL Number:
MFCD00192260
IUPAC Name:
sodium;2-sulfanylidene-1,3-dihydrobenzimidazole-5-sulfonate;dihydrate
InChI:
InChI=1S/C7H6N2O3S2.Na.2H2O/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);;2*1H2/q;+1;;/p-1
InChI Key:
OIYOMRFNKQEDEH-UHFFFAOYSA-M
SMILES:
S=c1[nH]c2c([nH]1)cc(cc2)S(=O)(=O)[O-].O.O.[Na+]
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.985g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
288.268g/mol
Monoisotopic Mass:
287.985g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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