chempirical

Albendazole-2-aminosulfone

C10H13N3O2SCAS 80983-34-2239.29 g/mol

Open in Covalent MOL file
SOONHNHNH
Sulfone

Properties

Molecular formula
C10H13N3O2S
Molar mass
239.29 g/mol
Exact mass
239.0728 Da
logP
1.16Crippen estimate
Polar surface area
89.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Identifiers

CAS number
80983-34-2
SMILES
CCCS(=O)(=O)c1ccc2[nH]c(=N)[nH]c2c1
InChIKey
WTPBIYSMFKUQKY-UHFFFAOYSA-N
InChI
InChI=1S/C10H13N3O2S/c1-2-5-16(14,15)7-3-4-8-9(6-7)13-10(11)12-8/h3-4,6H,2,5H2,1H3,(H3,11,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 1H-Benzimidazol-2-amine, 6-(propylsulfonyl)-
  • 1H-Benzimidazol-2-amine, 5-(propylsulfonyl)-
  • 6-(Propylsulfonyl)-1H-benzimidazol-2-amine
  • 5-Propylsulfonyl-1H-benzimidazol-2-amine
  • SKF 81038
  • 2-Aminoalbendazole sulfone
  • 2-Amino-5-1H-propylsulfonylbenzimidazole
  • 2-Amino-5-propylsulphonylbenzimidazole

Work with Albendazole-2-aminosulfone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-5-chlorobenzimidazole5418-93-939 % similar 2-Amino-5-nitrobenzimidazole6232-92-438 % similar 2-Amino-5,6-dimethylbenzimidazole29096-75-136 % similar 2-Aminobenzimidazole934-32-735 % similar 6-(Methylsulfonyl)-2-benzothiazolamine17557-67-432 % similar 1-[(2-Chloroethyl)sulfonyl]-4-methylbenzene22381-53-930 % similar 2-[(4-Methylphenyl)sulfonyl]ethanol22381-54-030 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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