chempirical

2-Dibenzothiophenamine

C12H9NSCAS 7428-91-3199.27 g/mol

Open in Covalent MOL file
SNH2
Primary amine

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
7428-91-3
SMILES
C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)N
InChIKey
ICMMJWDNKMITSS-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H,13H2

Weigh it out

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

Work with 2-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 2-Iododibenzothiophene177586-41-355 % similar 2-Bromodibenzothiophene22439-61-855 % similar Dibenzothiophene-2-boronic acid668983-97-950 % similar Thioxanthone492-22-843 % similar Benzo[b]naphtho[1,2-d]thiophene205-43-642 % similar 3-Amino-9-ethylcarbazole132-32-142 % similar 3-Dibenzofuranamine4106-66-541 % similar

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

Same formula

1-Naphthalenemethyl isothiocyanate17112-82-2 3-Dibenzothiophenamine25288-76-0 2-Methylnaphtho[1,2-d]thiazole2682-45-3 2-Methylnaphtho[2,3-d]thiazole6957-25-1 Phenothiazine92-84-2

Elsewhere

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