Organofluorine / Alfa Chemistry
2-(1,3-benzothiazol-2-ylsulfonyl)-2-fluoro-N-(2-phenylethyl)ethanamine

2-(1,3-benzothiazol-2-ylsulfonyl)-2-fluoro-N-(2-phenylethyl)ethanamine

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2-(1,3-benzothiazol-2-ylsulfonyl)-2-fluoro-N-(2-phenylethyl)ethanamine
Catalog OFC1200123165
CAS 1200123-16-5
Category Other Fluorinated Group Introducing Agents
Synonyms Benzeneethanamine, N-[2-(2-benzothiazolylsulfonyl)-2-fluoroethyl]- (ACI)
N-[2-(2-Benzothiazolylsulfonyl)-2-fluoroethyl]benzeneethanamine (ACI)
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C17H17FN2O2S2/c18-16(12-19-11-10-13-6-2-1-3-7-13)24(21,22)17-20-14-8-4-5-9-15(14)23-17/h1-9,16,19H,10-12H2
InChI Key HVRDKWOTTWOOSW-UHFFFAOYSA-N
Canonical SMILES O=S(=O)(c1nc2ccccc2s1)C(F)CNCCc1ccccc1
Molecular Formula C17H17FN2O2S2
Molecular Weight 364.467
Melting Point 125-130 °C
Boiling Point 526.5 °C
Density 1.335 g/cm3
Appearance Colorless solid
Exact Mass 364.0715

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