4-Benzoyl-4′-methyldiphenyl sulfide

C₂₀H₁₆OSCAS 83846-85-9304.41 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₀H₁₆OS
Molar mass: 304.41 g/mol
Exact mass: 304.0922 Da
logP: 5.38Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Warning

H302+H312 Harmful if swallowed or in contact with skin45.9% of notifiers
H302 Harmful if swallowed77% of notifiers
H312 Harmful in contact with skin75.4% of notifiers
H315 Causes skin irritation78.7% of notifiers
H319 Causes serious eye irritation80.3% of notifiers
H335 May cause respiratory irritation77% of notifiers
H413 May cause long lasting harmful effects to aquatic life19.7% of notifiers

Aggregated from 61 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, 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

83846-85-9

SMILES

Cc1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1

InChIKey

DBHQYYNDKZDVTN-UHFFFAOYSA-N

InChI

InChI=1S/C20H16OS/c1-15-7-11-18(12-8-15)22-19-13-9-17(10-14-19)20(21)16-5-3-2-4-6-16/h2-14H,1H3

Weigh it out

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

Names and synonyms

17 names · show all

Methanone, (4-((4-methylphenyl)thio)phenyl)phenyl-
Methanone, [4-[(4-methylphenyl)thio]phenyl]phenyl-
[4-[(4-Methylphenyl)thio]phenyl]phenylmethanone
Quantacure BMS
Kayacure BMS
Phenyl (p-tolylthio)phenyl ketone
4-(4-Methylphenylthio)benzophenone
4-(p-Tolylthio)benzophenone
4-(4-Tolylthio)benzophenone
4-Benzoyl-4′-methyldiphenyl thioether
Speedcure BMS
SB-PI 705
Runtecure 1030
Lunacure BMS
BMS
Chemcure BMS
[4-(4-Methylphenyl)sulfanylphenyl]-phenylmethanone

Work with 4-Benzoyl-4′-methyldiphenyl sulfide

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

4-Methylbenzophenone134-84-979 % similar 4,4'-Dimethylbenzophenone611-97-264 % similar 3,4'-Dimethylbenzophenone13152-94-864 % similar Esacure 1001M272460-97-662 % similar 4-Methyldiphenyl sulfide3699-01-262 % similar 3-Methylbenzophenone643-65-258 % similar 1,4-Dibenzoylbenzene3016-97-557 % similar Benzophenone119-61-954 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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