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89029-02-7 | 1H-Benzimidazol-5-amine, 2-(ethylsulfonyl)-
CAS No: 89029-02-7 Catalog No: AG00442M MDL No:
Product Description
Catalog Number:
AG00442M
Chemical Name:
1H-Benzimidazol-5-amine, 2-(ethylsulfonyl)-
CAS Number:
89029-02-7
Molecular Formula:
C9H11N3O2S
Molecular Weight:
225.2675
IUPAC Name:
2-ethylsulfonyl-3H-benzimidazol-5-amine
InChI:
InChI=1S/C9H11N3O2S/c1-2-15(13,14)9-11-7-4-3-6(10)5-8(7)12-9/h3-5H,2,10H2,1H3,(H,11,12)
InChI Key:
UMROKTRQIDYHNP-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1nc2c([nH]1)ccc(c2)N
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.266g/mol
Monoisotopic Mass:
225.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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