3-Benzyloxyphenyl isothiocyanate

C₁₄H₁₁NOSCAS 206559-36-6241.31 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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

206559-36-6

SMILES

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

InChIKey

QJLFNDXMZQJMDL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3-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

1,3-Dibenzyloxybenzene3769-42-459 % similar 1-Isothiocyanato-3-methoxybenzene3125-64-256 % similar 3-Ethylphenyl isothiocyanate19241-20-453 % similar 3-(Phenylmethoxy)benzeneacetonitrile20967-96-851 % similar Phenyl isothiocyanate103-72-050 % similar 3-Iodobenzyloxybenzene107623-21-250 % similar 3-(Benzyloxy)aniline1484-26-050 % similar 3-(Phenylmethoxy)benzenemethanol1700-30-750 % similar

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

Same formula

4-Benzyloxyphenyl isothiocyanate139768-71-1 3-Isothiocyanato-4-methoxy-1,1'-biphenyl206761-68-4 2-Acetylphenothiazine6631-94-3

Elsewhere

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