chempirical

3-Dibenzothiophenamine

C12H9NSCAS 25288-76-0199.27 g/mol

Open in Covalent MOL file
NH2S
Primary amine

Properties

Molecular formula
C12H9NS
Molar mass
199.27 g/mol
Exact mass
199.0456 Da
Melting point
121.5–122 °C
logP
3.64Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
25288-76-0
SMILES
Nc1ccc2c(c1)sc1ccccc12
InChIKey
HSIYJKUTMUOWPE-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NS/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7H,13H2

Weigh it out

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

Names and synonyms

2 names
  • 3-Aminodibenzothiophene
  • NSC 170579

Work with 3-Dibenzothiophenamine

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

Dibenzothiophene132-65-058 % similar 3-Dibenzofuranamine4106-66-545 % similar Thioxanthone492-22-843 % similar 2-Naphthylamine91-59-840 % similar Solvent orange 6316294-75-039 % similar 4-Bromodibenzothiophene97511-05-239 % similar 2-Aminoanthracene613-13-839 % similar Benzo[B]naphtho[1,2-D]thiophene205-43-638 % similar

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

Same formula

2-Methylnaphtho[1,2-D]thiazole2682-45-3 2-Methylnaphtho[2,3-D]thiazole6957-25-1 Phenothiazine92-84-2

Elsewhere

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