Bis(4-methacryloylthiophenyl) sulfide

C₂₀H₁₈O₂S₃CAS 129283-82-5386.54 g/mol

Open in Covalent MOL file

Alkene Sulfide

Properties

Molecular formula: C₂₀H₁₈O₂S₃
Molar mass: 386.54 g/mol
Exact mass: 386.0469 Da
logP: 6.23Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 6

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation16.7% of notifiers
H317 May cause an allergic skin reaction83.3% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H332 Harmful if inhaled16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

129283-82-5

SMILES

CC(=C)C(=O)SC1=CC=C(C=C1)SC2=CC=C(C=C2)SC(=O)C(=C)C

InChIKey

SPNAQSNLZHHUIJ-UHFFFAOYSA-N

InChI

InChI=1S/C20H18O2S3/c1-13(2)19(21)24-17-9-5-15(6-10-17)23-16-7-11-18(12-8-16)25-20(22)14(3)4/h5-12H,1,3H2,2,4H3

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Work with Bis(4-methacryloylthiophenyl) 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

1-[4-(Phenylthio)phenyl]ethanone10169-55-838 % similar Phenyl thioacetate934-87-234 % similar Phenyl methacrylate2177-70-033 % similar 3-Methyl-3-buten-2-one814-78-832 % similar 4-Benzoyl-4′-methyldiphenyl sulfide83846-85-932 % similar Benzyl methacrylate2495-37-631 % similar Methacrylic anhydride760-93-030 % similar Methacrylic acid79-41-430 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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