3,4-Dibromotetrahydrothiophene 1,1-dioxide

C₄H₆Br₂O₂SCAS 15091-30-2277.96 g/mol

Open in Covalent MOL file

Alkyl halide Sulfone

Properties

Molecular formula: C₄H₆Br₂O₂S
Molar mass: 277.96 g/mol
Exact mass: 275.8455 Da
Melting point: 139–141 °C
logP: 0.94Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

15091-30-2

SMILES

O=S1(=O)CC(Br)C(Br)C1

InChIKey

CGWKQCYAMPDEGC-UHFFFAOYSA-N

InChI

InChI=1S/C4H6Br2O2S/c5-3-1-9(7,8)2-4(3)6/h3-4H,1-2H2

Weigh it out

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

Names and synonyms

7 names

Thiophene, 3,4-dibromotetrahydro-, 1,1-dioxide
3,4-Dibromosulfolane
3,4-Dibromotetrahydrothiophene dioxide
NSC 39636
NSC 75382
3,4-Dibromo-1λ6-thiolane-1,1-dione
3,4-Dibromothiolane 1,1-dioxide

Work with 3,4-Dibromotetrahydrothiophene 1,1-dioxide

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

Hexabromocyclododecane3194-55-633 % similar Sulfolane126-33-030 % similar 1,2,3,4-Tetrabromobutane1529-68-630 % similar trans-1,2-Dibromocyclohexane7429-37-030 % similar

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

Elsewhere

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