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5-PHENYLSULFONYLMETHYL-[1,3,4]-THIADIAZOLE-2-THIOL
SpectraBase Compound ID A6bDIrLugFb
InChI InChI=1S/C9H8N2O2S3/c12-16(13,7-4-2-1-3-5-7)6-8-10-11-9(14)15-8/h1-5H,6H2,(H,11,14)
InChIKey JVFHKKHWUHYFHM-UHFFFAOYSA-N
Mol Weight 272.36 g/mol
Molecular Formula C9H8N2O2S3
Exact Mass 271.974791 g/mol

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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ak7xL50qIyk
Name 5-PHENYLSULFONYLMETHYL-[1,3,4]-THIADIAZOLE-2-THIOL
CAS Registry Number 850133-66-3
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8N2O2S3
InChI InChI=1S/C9H8N2O2S3/c12-16(13,7-4-2-1-3-5-7)6-8-10-11-9(14)15-8/h1-5H,6H2,(H,11,14)
InChIKey JVFHKKHWUHYFHM-UHFFFAOYSA-N
Literature Reference Author V.PADMAVATHI,P.THRIVENI,B.J.M.REDDY,A.PADMAJA
Literature Reference Citation J.HETCYCL.CHEM.,42,113(2005)
Literature Reference DOI 10.1002/jhet.5570420116
Molecular Weight 272.355 g/mol
Sample ID 42325
Solvent CDCl3