chempirical

2-Bromo-10-thiaxanthenone

C13H7BrOSCAS 20077-10-5291.16 g/mol

Open in Covalent MOL file
OSBr
Aryl halide

Properties

Molecular formula
C13H7BrOS
Molar mass
291.16 g/mol
Exact mass
289.9401 Da
logP
4.18Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 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
20077-10-5
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)Br
InChIKey
XOYDXFFMXDJBQU-UHFFFAOYSA-N
InChI
InChI=1S/C13H7BrOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H

Weigh it out

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Work with 2-Bromo-10-thiaxanthenone

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-Bromodibenzothiophene22439-61-871 % similar Thioxanthone492-22-866 % similar 2-Chlorothioxanthone86-39-561 % similar 2,8-Dibromodibenzothiophene31574-87-560 % similar 2-(Trifluoromethyl)-9H-thioxanthen-9-one1693-28-356 % similar 2-Isopropylthioxanthone5495-84-156 % similar 2,8-Dibromoindeno[1,2-b]fluorene-6,12-dione853234-57-850 % similar Solvent orange 6316294-75-049 % similar

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

Elsewhere

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