(4-(Benzyloxy)phenyl)thiourea

C₁₄H₁₄N₂OSCAS 65069-53-6258.34 g/mol

Open in Covalent MOL file

Ether

Properties

Molecular formula: C₁₄H₁₄N₂OS
Molar mass: 258.34 g/mol
Exact mass: 258.0827 Da
logP: 2.92Crippen estimate
Polar surface area: 47.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction50% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

65069-53-6

SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=S)N

InChIKey

TVUKNBBQSFMNAL-UHFFFAOYSA-N

InChI

InChI=1S/C14H14N2OS/c15-14(18)16-12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H3,15,16,18)

Weigh it out

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

Names and synonyms

1 names

1-(4-Benzyloxyphenyl)-2-thiourea

Work with (4-(Benzyloxy)phenyl)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

(p-Benzyloxyphenyl)hydrazine hydrochloride52068-30-155 % similar Hydroquinone dibenzyl ether621-91-055 % similar 4-Benzyloxyaniline6373-46-251 % similar 1-(4-(Trifluoromethoxy)phenyl)-2-thiourea142229-74-150 % similar Benzyl phenyl ether946-80-550 % similar 4-(Phenylmethoxy)aniline hydrochloride51388-20-648 % similar 4-Benzyloxybenzhydrazide128958-65-647 % similar Monobenzone103-16-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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