4-Benzyloxyphenyl isothiocyanate

C₁₄H₁₁NOSCAS 139768-71-1241.31 g/mol

Open in Covalent MOL file

Ether Isothiocyanate

Properties

Molecular formula: C₁₄H₁₁NOS
Molar mass: 241.31 g/mol
Exact mass: 241.0561 Da
logP: 4.00Crippen estimate
Polar surface area: 21.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Identifiers

CAS number

139768-71-1

SMILES

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

InChIKey

OQXRBXAFSXVCCO-UHFFFAOYSA-N

InChI

InChI=1S/C14H11NOS/c17-11-15-13-6-8-14(9-7-13)16-10-12-4-2-1-3-5-12/h1-9H,10H2

Weigh it out

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

Work with 4-Benzyloxyphenyl isothiocyanate

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

1-Isothiocyanato-4-phenoxybenzene3529-87-162 % similar Hydroquinone dibenzyl ether621-91-060 % similar 1-Ethoxy-4-isothiocyanatobenzene3460-49-958 % similar Phenyl isothiocyanate103-72-055 % similar 4-Benzyloxyaniline6373-46-251 % similar Monobenzone103-16-250 % similar 4-Methoxyphenyl isothiocyanate2284-20-050 % similar 1-Fluoro-4-(phenylmethoxy)benzene370-78-550 % similar

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

Same formula

2-Acetylphenothiazine6631-94-3

Elsewhere

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