1.0 2010-04-08 22:09:30 UTC 2015-07-20 22:38:25 UTC FDB011156 4,5-Dichloro-3H-1,3-dithiol-2-one FDA approved slimicide for use in food-contact paper and paperboard 1,2-Dithiol-3-one, dichloro- 3H-1,2-Dithiol-3-one, 4,5-dichloro- 3H-1,2-Dithiole-3-one, 4,5-dichloro- 4,5-Dichloro-1,2-dithia-4-cyclopenten-3-one 4,5-Dichloro-1,2-dithiacyclopentenone 4,5-Dichloro-1,2-dithiol-2-one 4,5-Dichloro-1,2-dithiol-3-one 4,5-Dichloro-3-oxo-1,2-dithiole 4,5-Dichloro-3H-1,2-dithiol-3-one 4,5-Dichloro-3H-1,2-dithiole-3-one Dichloro-1,2-dithiol-3-one Dichlorodithiolone C3Cl2OS2 187.068 185.876761416 dichloro-3H-1,2-dithiol-3-one dichloro-1,2-dithiol-3-one 1192-52-5 ClC1=C(Cl)C(=O)SS1 InChI=1S/C3Cl2OS2/c4-1-2(5)7-8-3(1)6 QGSRKGWCQSATCL-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl chlorides. These are organic compounds containing the acyl chloride functional group. Aryl chlorides Organic compounds Organohalogen compounds Aryl halides Aryl chlorides Aromatic heteromonocyclic compounds 1,2-dithiole-3-ones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Vinylogous halides 1,2-dithiole 1,2-dithiole-3-one Aromatic heteromonocyclic compound Aryl chloride Dithiole Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organochloride Organoheterocyclic compound Organooxygen compound Vinylogous halide logp 2.22 ALOGPS logs -1.97 ALOGPS solubility 1.99e+00 g/l ALOGPS melting_point Mp 61° logp 2.96 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac dichloro-3H-1,2-dithiol-3-one ChemAxon average_mass 187.068 ChemAxon mono_mass 185.876761416 ChemAxon smiles ClC1=C(Cl)C(=O)SS1 ChemAxon formula C3Cl2OS2 ChemAxon inchi InChI=1S/C3Cl2OS2/c4-1-2(5)7-8-3(1)6 ChemAxon inchikey QGSRKGWCQSATCL-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 48.91 ChemAxon polarizability 14.34 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24924 Specdb::CMs 171213 Specdb::MsMs 110277 Specdb::MsMs 110278 Specdb::MsMs 110279 Specdb::MsMs 177912 Specdb::MsMs 177913 Specdb::MsMs 177914 Specdb::MsMs 3075639 Specdb::MsMs 3075640 Specdb::MsMs 3075641 Specdb::MsIr 5994 Specdb::MsIr 5995 HMDB33151 #<Reference:0x000055ce330fabc0>