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Carbamodithioic acid, phenyl-, anhydrosulfide with carbamimidothioic acid
SpectraBase Compound ID F4XICLBA8LP
InChI InChI=1S/C8H9N3S2/c9-7(10)13-8(12)11-6-4-2-1-3-5-6/h1-5H,(H3,9,10)(H,11,12)
InChIKey LOGCECVRHYICTR-UHFFFAOYSA-N
Mol Weight 211.3 g/mol
Molecular Formula C8H9N3S2
Exact Mass 211.02379 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EP1tqbHyAMN
Name Carbamodithioic acid, phenyl-, anhydrosulfide with carbamimidothioic acid
CAS Registry Number 60791-33-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9N3S2
InChI InChI=1S/C8H9N3S2/c9-7(10)13-8(12)11-6-4-2-1-3-5-6/h1-5H,(H3,9,10)(H,11,12)
InChIKey LOGCECVRHYICTR-UHFFFAOYSA-N
Molecular Weight 211.301 g/mol
SMILES N=C(SC(Nc1ccccc1)=S)N
SPLASH splash10-0fbo-9200000000-9df4d7541b2de2020039
Source of Spectrum B-29-422-0
Synonyms N-phenyl(carbamimidoylsulfanyl)carbothioamide S-(n-phenylthiocarbamyl)isothiourea S-(n-phenylthiocarbanyl)isothiourea N-phenylcarbamodithioic acid carbamimidoyl ester Carbamimidoyl N-phenylcarbamodithioate
Wiley ID 1210149