Organofluorine / Alfa Chemistry
(3aR,6S,7aS)-1-((Difluoromethyl)thio)-7,7-dimethoxy-8,8-di-methylhexahydro-3H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide

(3aR,6S,7aS)-1-((Difluoromethyl)thio)-7,7-dimethoxy-8,8-di-methylhexahydro-3H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide

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(3aR,6S,7aS)-1-((Difluoromethyl)thio)-7,7-dimethoxy-8,8-di-methylhexahydro-3H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide
Catalog OFC2376659377
CAS 2376659-37-7
Category Difluoromethylation Agents
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C13H21F2NO4S2/c1-11(2)8-5-6-12(11)7-22(17,18)16(21-10(14)15)9(12)13(8,19-3)20-4/h8-10H,5-7H2,1-4H3/t8-,9-,12-/m0/s1
InChI Key KULZJLJQQSUTES-AUTRQRHGSA-N
Canonical SMILES COC1(OC)[C@H]2CC[C@@]3(CS(=O)(=O)N(SC(F)F)[C@H]13)C2(C)C
Molecular Formula C13H21F2NO4S2
Molecular Weight 357.444
Melting Point 132.5-133.5 °C
Boiling Point 386.9 °C
Density 1.449 g/cm3
Appearance white solid
Exact Mass 357.088

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