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2-[(2-fluorophenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylic acid
SpectraBase Compound ID EWuVIxLCkmm
InChI InChI=1S/C13H11FN2O2S2/c1-7-6-8(12(17)18)11(20-7)16-13(19)15-10-5-3-2-4-9(10)14/h2-6H,1H3,(H,17,18)(H2,15,16,19)
InChIKey OOKONUWZCWJSEM-UHFFFAOYSA-N
Mol Weight 310.36 g/mol
Molecular Formula C13H11FN2O2S2
Exact Mass 310.024598 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvFNvUALjsl
Name 2-[(2-fluorophenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11FN2O2S2
InChI InChI=1S/C13H11FN2O2S2/c1-7-6-8(12(17)18)11(20-7)16-13(19)15-10-5-3-2-4-9(10)14/h2-6H,1H3,(H,17,18)(H2,15,16,19)
InChIKey OOKONUWZCWJSEM-UHFFFAOYSA-N
Molecular Weight 310.361 g/mol
SMILES N(\C(=N\c1sc(cc1C(O)=O)C)S)c1ccccc1F
SPLASH splash10-03di-1798000000-07616c2adb970a90f227
Synonyms 2-[(2-fluorophenyl)thiocarbamoylamino]-5-methyl-3-thenoic acid 2-[[(2-fluoroanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid
Wiley ID 1511853