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Home > Imidazoles > 94939-79-4
94939-79-4 | 1H-Benzimidazole, 2-(2-thiazolyl)-, sulfite (1:1)
CAS No: 94939-79-4 Catalog No: AG006QVE MDL No:
Product Description
Catalog Number:
AG006QVE
Chemical Name:
1H-Benzimidazole, 2-(2-thiazolyl)-, sulfite (1:1)
CAS Number:
94939-79-4
Molecular Formula:
C10H9N3O3S2
Molecular Weight:
283.3268
IUPAC Name:
2-(1H-benzimidazol-2-yl)-1,3-thiazole;sulfurous acid
InChI:
InChI=1S/C10H7N3S.H2O3S/c1-2-4-8-7(3-1)12-9(13-8)10-11-5-6-14-10;1-4(2)3/h1-6H,(H,12,13);(H2,1,2,3)
InChI Key:
WHWZOBUBMDEWDR-UHFFFAOYSA-N
SMILES:
c1csc(n1)c1nc2c([nH]1)cccc2.OS(=O)O
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.009g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
283.32g/mol
Monoisotopic Mass:
283.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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