chempirical

2-Bromo-1,3,4-thiadiazole

C2HBrN2SCAS 61929-24-6165.01 g/mol

Open in Covalent MOL file
NNSBr
Aryl halide

Properties

Molecular formula
C2HBrN2S
Molar mass
165.01 g/mol
Exact mass
163.9044 Da
logP
1.30Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 3
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
61929-24-6
SMILES
C1=NN=C(S1)Br
InChIKey
DQBCRVIBTFHJLM-UHFFFAOYSA-N
InChI
InChI=1S/C2HBrN2S/c3-2-5-4-1-6-2/h1H

Weigh it out

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

Work with 2-Bromo-1,3,4-thiadiazole

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

1,3,4-Thiadiazole-2-thiol18686-82-342 % similar 2-Bromothiazole3034-53-536 % similar 2,4-Dibromothiazole4175-77-335 % similar 2-Bromo-4-methyl-1,3-thiazole7238-61-132 % similar 5-Bromothiazole3034-55-731 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook