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915922-50-8 | 1-(METHYLSULFONYL)-1H-BENZIMIDAZOL-2-AMINE
CAS No: 915922-50-8 Catalog No: AG006GJD MDL No:MFCD04324079
Product Description
Catalog Number:
AG006GJD
Chemical Name:
1-(METHYLSULFONYL)-1H-BENZIMIDAZOL-2-AMINE
CAS Number:
915922-50-8
Molecular Formula:
C8H9N3O2S
Molecular Weight:
211.2410
MDL Number:
MFCD04324079
IUPAC Name:
1-methylsulfonylbenzimidazol-2-amine
InChI:
InChI=1S/C8H9N3O2S/c1-14(12,13)11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3,(H2,9,10)
InChI Key:
RZUVPGKUELYOQW-UHFFFAOYSA-N
SMILES:
Nc1nc2c(n1S(=O)(=O)C)cccc2
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.239g/mol
Monoisotopic Mass:
211.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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