4-(2-Fluorophenyl)-3-thiosemicarbazide

C₇H₈FN₃SCAS 38985-72-7185.22 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₈FN₃S
Molar mass: 185.22 g/mol
Exact mass: 185.0423 Da
logP: 0.99Crippen estimate
Polar surface area: 50.1 Å²
H-bond donors / acceptors: 3 / 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

38985-72-7

SMILES

C1=CC=C(C(=C1)NC(=S)NN)F

InChIKey

TWFLAERJMLKDNL-UHFFFAOYSA-N

InChI

InChI=1S/C7H8FN3S/c8-5-3-1-2-4-6(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.

Work with 4-(2-Fluorophenyl)-3-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

(2-Fluorophenyl)hydrazine2368-80-152 % similar Hydrazine, (2-fluorophenyl)-, hydrochloride (1:1)2924-15-447 % similar N-(2-Fluorophenyl)thiourea656-32-646 % similar 4-(2,4-Dichlorophenyl)-3-thiosemicarbazide13124-11-344 % similar 4-(2,4-Dimethylphenyl)-3-thiosemicarbazide66298-09-744 % similar 2-Fluorobenzhydrazide446-24-243 % similar 2-Fluorothiobenzamide75907-82-343 % similar 4-[4-(Trifluoromethyl)phenyl]-3-thiosemicarbazide206761-90-243 % similar

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

Same formula

4-(4-Fluorophenyl)thiosemicarbazide330-94-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook