5-Bromothiophene-2-carbohydrazide

C₅H₅BrN₂OSCAS 98027-27-1221.07 g/mol

Open in Covalent MOL file

Amide Aryl halide Primary amine

Properties

Molecular formula: C₅H₅BrN₂OS
Molar mass: 221.07 g/mol
Exact mass: 219.9306 Da
logP: 1.11Crippen estimate
Polar surface area: 55.1 Å²
H-bond donors / acceptors: 2 / 3
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

98027-27-1

SMILES

C1=C(SC(=C1)Br)C(=O)NN

InChIKey

OFXZACLPQYOIAV-UHFFFAOYSA-N

InChI

InChI=1S/C5H5BrN2OS/c6-4-2-1-3(10-4)5(9)8-7/h1-2H,7H2,(H,8,9)

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Work with 5-Bromothiophene-2-carbohydrazide

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

5-Chlorothiophene-2-carboxylic acid hydrazide351983-31-859 % similar 5-Bromothiophene-2-carboxylic acid7311-63-955 % similar 2-Acetyl-5-bromothiophene5370-25-250 % similar Thiophene-2-carbohydrazide2361-27-549 % similar 5-Bromofuran-2-carbohydrazide89282-37-147 % similar (5-Bromo-2-thienyl)phenylmethanone31161-46-346 % similar Methyl 5-bromothiophene-2-carboxylate62224-19-546 % similar 4-Bromobenzoic acid hydrazide5933-32-446 % similar

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

Same formula

5-Bromo-2-(methylsulfanyl)pyrimidin-4(3H)-one81560-03-4

Elsewhere

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