1.0 2010-04-08 22:14:52 UTC 2015-07-21 06:43:41 UTC FDB020210 3-Bromosulfolane Fungicide against black leg of sugar beet seedlings 3-Bromosulfolane 3-Bromotetrahydrothiophene 1,1-dioxide 3-Bromotetrahydrothiophene-1,1-dioxide Bromosulfolane Tetrahydro-3-bromothiophene 1,1-dioxide Thiophene, 3-bromotetrahydro-, 1,1-dioxide Thiophene, tetrahydro-3-bromo-, 1,1-dioxide C4H7BrO2S 199.066 197.935012805 3-bromo-1λ⁶-thiolane-1,1-dione 3-bromo-1λ⁶-thiolane-1,1-dione 14008-53-8 BrC1CCS(=O)(=O)C1 InChI=1S/C4H7BrO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3H2 IPOKQKBJDASROB-UHFFFAOYSA-N belongs to the class of organic compounds known as thiolanes. These are organic compounds containing thiolane, a five-member saturated ring containing four carbon atoms and a sulfur atom. Thiolanes Organic compounds Organoheterocyclic compounds Thiolanes Aliphatic heteromonocyclic compounds Alkyl bromides Hydrocarbon derivatives Organic oxides Organobromides Sulfones Aliphatic heteromonocyclic compound Alkyl bromide Alkyl halide Hydrocarbon derivative Organic oxide Organic oxygen compound Organobromide Organohalogen compound Sulfone Thiolane logp 0.69 ALOGPS logs -1.39 ALOGPS solubility 8.06e+00 g/l ALOGPS melting_point Mp 46-47° logp -0.2 ChemAxon iupac 3-bromo-1λ⁶-thiolane-1,1-dione ChemAxon average_mass 199.066 ChemAxon mono_mass 197.935012805 ChemAxon smiles BrC1CCS(=O)(=O)C1 ChemAxon formula C4H7BrO2S ChemAxon inchi InChI=1S/C4H7BrO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3H2 ChemAxon inchikey IPOKQKBJDASROB-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 34.85 ChemAxon polarizability 14.75 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16860 Specdb::CMs 147558 Specdb::MsIr 8980 Specdb::MsIr 8981 Specdb::NmrOneD 40462 Specdb::NmrOneD 40463 Specdb::NmrOneD 40464 Specdb::NmrOneD 40465 Specdb::NmrOneD 40466 Specdb::NmrOneD 40467 Specdb::NmrOneD 40468 Specdb::NmrOneD 40469 Specdb::NmrOneD 40470 Specdb::NmrOneD 40471 Specdb::NmrOneD 40472 Specdb::NmrOneD 40473 Specdb::NmrOneD 40474 Specdb::NmrOneD 40475 Specdb::NmrOneD 40476 Specdb::NmrOneD 40477 Specdb::NmrOneD 40478 Specdb::NmrOneD 40479 Specdb::NmrOneD 40480 Specdb::NmrOneD 40481 Specdb::MsMs 303253 Specdb::MsMs 303254 Specdb::MsMs 303255 Specdb::MsMs 346165 Specdb::MsMs 346166 Specdb::MsMs 346167 Specdb::MsMs 2359886 Specdb::MsMs 2359887 Specdb::MsMs 2359888 Specdb::MsMs 2606119 Specdb::MsMs 2606120 Specdb::MsMs 2606121 HMDB40457 #<Reference:0x000055ce3210d6e0>