4-(4-Fluorophenyl)thiosemicarbazide

C₇H₈FN₃SCAS 330-94-9185.22 g/mol

Open in Covalent MOL file

Aryl halide Hydrazone Primary amine Thiol

Properties

Molecular formula: C₇H₈FN₃S
Molar mass: 185.22 g/mol
Exact mass: 185.0423 Da
Melting point: 177–178 °C
logP: 1.40Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed85.7% of notifiers
H311 Toxic in contact with skin14.3% of notifiers
H315 Causes skin irritation14.3% of notifiers
H319 Causes serious eye irritation14.3% of notifiers
H331 Toxic if inhaled14.3% of notifiers
H335 May cause respiratory irritation14.3% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

330-94-9

SMILES

NN=C(S)Nc1ccc(F)cc1

InChIKey

HDQJJEUAWXLNCD-UHFFFAOYSA-N

InChI

InChI=1S/C7H8FN3S/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

9 names

Hydrazinecarbothioamide, N-(4-fluorophenyl)-
Semicarbazide, 4-(p-fluorophenyl)-3-thio-
N-(4-Fluorophenyl)hydrazinecarbothioamide
4-(p-Fluorophenyl)-3-thiosemicarbazide
4-(p-Fluorophenyl)thiosemicarbazide
Flusone
4-(4-Fluorophenyl)-3-thiosemicarbazide
N-(4-Fluorophenyl)thiosemicarbazide
3-Amino-1-(4-fluorophenyl)thiourea

Work with 4-(4-Fluorophenyl)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

4-(4-Methoxyphenyl)thiosemicarbazide40207-03-258 % similar N-(4-Fluorophenyl)thiourea459-05-250 % similar Carbonic anhydrase ix/xii inhibitor ii(U-104)178606-66-140 % similar (2E)-N-(4-Fluorophenyl)-2-(hydroxyimino)acetamide351-09-739 % similar 2-Chloro-N-(4-fluorophenyl)acetamide351-04-238 % similar 4-Fluorophenylhydrazine hydrochloride823-85-838 % similar Thiocarbanilide102-08-938 % similar N-Methyl-N′-phenylthiourea2724-69-838 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(2-Fluorophenyl)-3-thiosemicarbazide38985-72-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook