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Carbamodithioic acid, (4-methylphenyl)-, anhydrosulfide with carbamimidothioic acid
SpectraBase Compound ID EQq21hBKOin
InChI InChI=1S/C9H11N3S2/c1-6-2-4-7(5-3-6)12-9(13)14-8(10)11/h2-5H,1H3,(H3,10,11)(H,12,13)
InChIKey TUZSTXWKFMYTJE-UHFFFAOYSA-N
Mol Weight 225.33 g/mol
Molecular Formula C9H11N3S2
Exact Mass 225.03944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7sbOYuamcPn
Name Carbamodithioic acid, (4-methylphenyl)-, anhydrosulfide with carbamimidothioic acid
Alternate Name(s) N-(4-methylphenyl)(carbamimidoylsulfanyl)carbothioamide S-(n-p-tolylthiocarbamyl)isothiourea N-(4-methylphenyl)carbamodithioic acid carbamimidoyl ester Carbamimidoyl N-(p-tolyl)carbamodithioate Carbamimidoyl N-(4-methylphenyl)carbamodithioate
CAS Registry Number 60791-34-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11N3S2
InChI InChI=1S/C9H11N3S2/c1-6-2-4-7(5-3-6)12-9(13)14-8(10)11/h2-5H,1H3,(H3,10,11)(H,12,13)
InChIKey TUZSTXWKFMYTJE-UHFFFAOYSA-N
Molecular Weight 225.328 g/mol
SMILES N=C(SC(Nc1ccc(cc1)C)=S)N
SPLASH splash10-052e-9600000000-bd7bd7ea8738eb358262
Source of Spectrum B-29-423-0
Wiley ID 1226171