5-Fluoro-2-methylphenylthiourea

C₈H₉FN₂SCAS 16822-86-9184.23 g/mol

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Properties

Molecular formula: C₈H₉FN₂S
Molar mass: 184.23 g/mol
Exact mass: 184.0470 Da
logP: 1.79Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number

16822-86-9

SMILES

CC1=C(C=C(C=C1)F)NC(=S)N

InChIKey

NZTMKTPFNGHTJG-UHFFFAOYSA-N

InChI

InChI=1S/C8H9FN2S/c1-5-2-3-6(9)4-7(5)11-8(10)12/h2-4H,1H3,(H3,10,11,12)

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Names and synonyms

1 names

N-(5-Fluoro-2-methylphenyl)thiourea

Work with 5-Fluoro-2-methylphenylthiourea

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

(2,5-Difluorophenyl)thiourea207981-44-067 % similar 5-Fluoro-2-methylphenylhydrazine hydrochloride325-50-853 % similar 1-(3-Fluorophenyl)-2-thiourea458-05-953 % similar N-(2,4,6-Trimethylphenyl)thiourea91059-97-146 % similar 4-Fluoro-1,2-dimethylbenzene452-64-244 % similar 5-Fluoro-2-methylbenzamide175278-28-144 % similar 5-Fluoro-2-methylaniline367-29-343 % similar 2,4-Difluoro-1-methylbenzene452-76-642 % similar

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

Elsewhere

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