(2,5-Difluorophenyl)thiourea

C₇H₆F₂N₂SCAS 207981-44-0188.20 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₇H₆F₂N₂S
Molar mass: 188.20 g/mol
Exact mass: 188.0220 Da
logP: 1.62Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed90.7% of notifiers
H315 Causes skin irritation90.7% of notifiers
H319 Causes serious eye irritation90.7% of notifiers
H335 May cause respiratory irritation90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

207981-44-0

SMILES

C1=CC(=C(C=C1F)NC(=S)N)F

InChIKey

JBWSNSWRTOFDBM-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F2N2S/c8-4-1-2-5(9)6(3-4)11-7(10)12/h1-3H,(H3,10,11,12)

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Names and synonyms

1 names

2,5-Difluorophenylthiourea

Work with (2,5-Difluorophenyl)thiourea

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-Fluoro-2-methylphenylthiourea16822-86-967 % similar 1-(3-Fluorophenyl)-2-thiourea458-05-956 % similar 2,5-Difluorophenylhydrazine97108-50-455 % similar 2,5-Difluorophenylhydrazine monohydrochloride175135-73-650 % similar Imidodicarbonimidic diamide, N-(2,5-difluorophenyl)-, hydrochloride (1:1)66088-53-750 % similar 2,4-Difluorobenzene-1-carbothioamide175276-92-345 % similar 1-(2-Bromophenyl)-2-thiourea5391-30-042 % similar 2,4-Difluorophenylhydrazine40594-30-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(2,4-Difluorophenyl)thiourea175277-76-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook