Divinyl sulfone

C₄H₆O₂SCAS 77-77-0118.15 g/mol

Open in Covalent MOL file

Alkene Sulfone

Properties

Molecular formula: C₄H₆O₂S
Molar mass: 118.15 g/mol
Exact mass: 118.0089 Da
Density: 1.177 g/mL (at 25 °C)
Melting point: −26 °C
Boiling point: 234.5 °C
Flash point: 102.8 °C
Water solubility: ≥ 100 g/L (17.2 °C)
logP: 0.69Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H300+H310 Fatal if swallowed or in contact with skin65.8% of notifiers
H300 Fatal if swallowed99.4% of notifiers
H310 Fatal in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage72.8% of notifiers
H315 Causes skin irritation27.2% of notifiers
H318 Causes serious eye damage92.4% of notifiers
H335 May cause respiratory irritation27.2% of notifiers
H341 Suspected of causing genetic defects67.7% of notifiers

Aggregated from 158 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P361+P364, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

77-77-0

SMILES

C=CS(=O)(=O)C=C

InChIKey

AFOSIXZFDONLBT-UHFFFAOYSA-N

InChI

InChI=1S/C4H6O2S/c1-3-7(5,6)4-2/h3-4H,1-2H2

Weigh it out

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

Names and synonyms

11 names

Ethene, 1,1′-sulfonylbis-
Vinyl sulfone
1,1′-Sulfonylbis[ethene]
Bis(ethenyl)sulfone
NSC 133793
NSC 18590
NSC 57304
Ethenylsulfonylethene
1-Vinylsulfonylethylene
Vinylsulfonylethene
(Ethenesulfonyl)ethene

Work with Divinyl sulfone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1′-[Methylenebis(sulfonyl)]bis[ethene]3278-22-642 % similar Methyl vinyl sulfone3680-02-242 % similar (Ethylsulfonyl)ethene1889-59-436 % similar Sodium vinylsulfonate3039-83-636 % similar Phenyl vinyl sulfone5535-48-832 % similar 1,3-Bis(ethenylsulfonyl)-2-propanol67006-32-032 % similar 4H-1,4-Thiazine 1,1-dioxide40263-61-430 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sulfolene77-79-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook