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2-Amino-4-(4-chlorophenyl)-1,3,4-thiadiazolin-5-one
SpectraBase Compound ID F0kMlOvNjt3
InChI InChI=1S/C8H6ClN3OS/c9-5-1-3-6(4-2-5)12-8(13)14-7(10)11-12/h1-4H,(H2,10,11)
InChIKey FFASUIZXICAMQY-UHFFFAOYSA-N
Mol Weight 227.67 g/mol
Molecular Formula C8H6ClN3OS
Exact Mass 226.992011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MAI3HJueF7
Name 2-Amino-4-(4-chlorophenyl)-1,3,4-thiadiazolin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6ClN3OS
InChI InChI=1S/C8H6ClN3OS/c9-5-1-3-6(4-2-5)12-8(13)14-7(10)11-12/h1-4H,(H2,10,11)
InChIKey FFASUIZXICAMQY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200100036
Molecular Weight 227.669 g/mol
SMILES NC=1SC(N(N1)c1ccc(cc1)Cl)=O
SPLASH splash10-004i-0950000000-503a80dc6256829ee2bf
Source of Spectrum QA-48-224-6c
Synonyms 5-Amino-3-(4-chlorophenyl)-1,3,4-thiadiazol-2(3H)-one
Wiley ID 1795304