chempirical

2-(3-Bromophenyl)benzo[D]thiazole

C13H8BrNSCAS 19654-14-9290.18 g/mol

Open in Covalent MOL file
NSBr
Aryl halide

Properties

Molecular formula
C13H8BrNS
Molar mass
290.18 g/mol
Exact mass
288.9561 Da
logP
4.73Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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
19654-14-9
SMILES
C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)Br
InChIKey
XCMGDNMMLIJSQA-UHFFFAOYSA-N
InChI
InChI=1S/C13H8BrNS/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H

Weigh it out

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

Work with 2-(3-Bromophenyl)benzo[D]thiazole

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-Phenylbenzothiazole883-93-264 % similar 2-(4-Aminophenyl)benzothiazole6278-73-551 % similar 2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine864377-31-149 % similar 2-(3-Bromophenyl)benzoxazole99586-31-948 % similar 2-Bromobenzothiazole2516-40-747 % similar 3-Bromobiphenyl2113-57-747 % similar 4-(3-Bromophenyl)dibenzo[b,d]thiophene1084334-28-047 % similar 2-(3'-Bromo-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-1,3,5-triazine1606981-69-446 % similar

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

Same formula

2-(4-Bromophenyl)benzothiazole19654-19-4

Elsewhere

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