2-Fluorophenyl isothiocyanate

C₇H₄FNSCAS 38985-64-7153.17 g/mol

Open in Covalent MOL file

Aryl halide Isothiocyanate

Properties

Molecular formula: C₇H₄FNS
Molar mass: 153.17 g/mol
Exact mass: 153.0048 Da
logP: 2.56Crippen estimate
Polar surface area: 12.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

38985-64-7

SMILES

Fc1ccccc1N=C=S

InChIKey

OAGDRIUTLPDSMJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4FNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H

Weigh it out

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

Names and synonyms

5 names

Benzene, 1-fluoro-2-isothiocyanato-
1-Fluoro-2-isothiocyanatobenzene
o-Fluorophenyl isothiocyanate
NSC 129257
2-Fluoro-2-isothiocyanatobenzene

Work with 2-Fluorophenyl 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

2-Fluorophenyl isocyanate16744-98-259 % similar 1-Bromo-2-isothiocyanatobenzene13037-60-055 % similar 2-Methylphenyl isothiocyanate614-69-753 % similar 1-Naphthyl isothiocyanate551-06-452 % similar 1-Isothiocyanato-2-(trifluoromethoxy)benzene175205-33-149 % similar 1-Ethyl-2-isothiocyanatobenzene19241-19-148 % similar 3,4-Difluorophenyl isothiocyanate113028-75-447 % similar Phenyl isothiocyanate103-72-046 % similar

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

Same formula

2-Fluorobenzothiazole1123-98-4 4-Fluorophenyl isothiocyanate1544-68-9 3-Fluorophenyl isothiocyanate404-72-8

Elsewhere

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