4-(4-Bromophenyl)thiosemicarbazide

C₇H₈BrN₃SCAS 2646-31-3246.13 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₈BrN₃S
Molar mass: 246.13 g/mol
Exact mass: 244.9622 Da
logP: 1.61Crippen estimate
Polar surface area: 50.1 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 1

Identifiers

CAS number

2646-31-3

SMILES

C1=CC(=CC=C1NC(=S)NN)Br

InChIKey

ACKSCWQUPJXVIC-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BrN3S/c8-5-1-3-6(4-2-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)

Weigh it out

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

Names and synonyms

1 names

4-(4-Bromophenyl)-3-thiosemicarbazide

Work with 4-(4-Bromophenyl)thiosemicarbazide

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

3-Amino-1-(4-methylphenyl)thiourea13278-67-663 % similar 4-(4-Chlorophenyl)-3-thiosemicarbazide22814-92-263 % similar 4-[4-(Trifluoromethyl)phenyl]-3-thiosemicarbazide206761-90-257 % similar (4-Bromophenyl)hydrazine589-21-948 % similar p-Bromophenylhydrazine hydrochloride41931-18-444 % similar 4-Bromophenylhydrazine hydrochloride622-88-844 % similar N-(4-Bromophenyl)thiourea2646-30-243 % similar 4-Bromobenzoic acid hydrazide5933-32-443 % similar

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

Elsewhere

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