Bis(3-fluorophenyl)disulfide

C₁₂H₈F₂S₂CAS 63930-17-6254.31 g/mol

Open in Covalent MOL file

Aryl halide Disulfide

Properties

Molecular formula: C₁₂H₈F₂S₂
Molar mass: 254.31 g/mol
Exact mass: 254.0035 Da
logP: 4.76Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, 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

63930-17-6

SMILES

C1=CC(=CC(=C1)SSC2=CC=CC(=C2)F)F

InChIKey

LFVFHTBHAIVNJQ-UHFFFAOYSA-N

InChI

InChI=1S/C12H8F2S2/c13-9-3-1-5-11(7-9)15-16-12-6-2-4-10(14)8-12/h1-8H

Weigh it out

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

Work with Bis(3-fluorophenyl)disulfide

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-Fluoro-3-(methylthio)benzene658-28-663 % similar 1,3-Difluorobenzene372-18-958 % similar 3,3'-Dichloro diphenyl disulfide19742-92-850 % similar 3-Fluorotoluene352-70-550 % similar 3-Fluorophenol372-20-350 % similar 3,3'-Difluoro-1,1'-biphenyl396-64-550 % similar 3-[(3-Hydroxyphenyl)disulfanyl]phenol21101-56-448 % similar 1-Chloro-3-fluorobenzene625-98-946 % similar

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

Same formula

Bis-(2-fluorophenyl)disulfide14135-38-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook