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Benzoic acid, 4-(5-amino-1,3,4-thiadiazol-2-ylthiomethyl)-
SpectraBase Compound ID 8kyFcMT0bmV
InChI InChI=1S/C10H9N3O2S2/c11-9-12-13-10(17-9)16-5-6-1-3-7(4-2-6)8(14)15/h1-4H,5H2,(H2,11,12)(H,14,15)
InChIKey QJKNFSPAYVEYDX-UHFFFAOYSA-N
Mol Weight 267.32 g/mol
Molecular Formula C10H9N3O2S2
Exact Mass 267.013619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AUzIxB42t6H
Name Benzoic acid, 4-(5-amino-1,3,4-thiadiazol-2-ylthiomethyl)-
Alternate Name(s) 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoic acid 4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoic acid 4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]benzoic acid
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Formula C10H9N3O2S2
InChI InChI=1S/C10H9N3O2S2/c11-9-12-13-10(17-9)16-5-6-1-3-7(4-2-6)8(14)15/h1-4H,5H2,(H2,11,12)(H,14,15)
InChIKey QJKNFSPAYVEYDX-UHFFFAOYSA-N
Molecular Weight 267.321 g/mol
SMILES OC(c1ccc(CSc2sc(nn2)N)cc1)=O
SPLASH splash10-00ku-5930000000-d73d99438a586b100b7c
Source of Spectrum AD-0-2532-0
Wiley ID 1433372