1-(4-(Trifluoromethoxy)phenyl)-2-thiourea

C₈H₇F₃N₂OSCAS 142229-74-1236.21 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₈H₇F₃N₂OS
Molar mass: 236.21 g/mol
Exact mass: 236.0231 Da
logP: 2.24Crippen estimate
Polar surface area: 47.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

142229-74-1

SMILES

C1=CC(=CC=C1NC(=S)N)OC(F)(F)F

InChIKey

UCOXNOVULREFCO-UHFFFAOYSA-N

InChI

InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-3-1-5(2-4-6)13-7(12)15/h1-4H,(H3,12,13,15)

Weigh it out

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

Work with 1-(4-(Trifluoromethoxy)phenyl)-2-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

(4-(Trifluoromethyl)phenyl)thiourea1736-72-760 % similar 4-(Trifluoromethoxy)phenylhydrazine hydrochloride133115-72-751 % similar 2-Chloro-N-[4-(trifluoromethoxy)phenyl]acetamide161290-85-350 % similar N-Methyl-4-(trifluoromethoxy)aniline41419-59-450 % similar (4-(Benzyloxy)phenyl)thiourea65069-53-650 % similar 1-[3,5-Bis(trifluoromethyl)phenyl]-2-thiourea175277-17-547 % similar 4-(Trifluoromethoxy)benzamide456-71-347 % similar 3-(Trifluoromethyl)phenylthiourea1736-70-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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