3,4-Dibromotetrahydrothiophene 1,1-dioxide

C4H6Br2O2SCAS 15091-30-2277.96 g/mol

Open in Covalent MOL file
OSOBrBr
Alkyl halideSulfone

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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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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 1,2-Dibromocyclohexane5401-62-730 % 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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