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Carbamimidothioic acid, (2-chloro-3-oxo-1-propenyl)-, 1-propynyl ester
SpectraBase Compound ID 9I0P1dFXYjK
InChI InChI=1S/C7H7ClN2OS/c1-2-3-12-7(9)10-4-6(8)5-11/h4-5H,1H3,(H2,9,10)/b6-4-
InChIKey SWSAYVMAUTWCHS-XQRVVYSFSA-N
Mol Weight 202.66 g/mol
Molecular Formula C7H7ClN2OS
Exact Mass 201.996762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZmQzefsPQW
Name Carbamimidothioic acid, (2-chloro-3-oxo-1-propenyl)-, 1-propynyl ester
CAS Registry Number 86984-25-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7ClN2OS
InChI InChI=1S/C7H7ClN2OS/c1-2-3-12-7(9)10-4-6(8)5-11/h4-5H,1H3,(H2,9,10)/b6-4-
InChIKey SWSAYVMAUTWCHS-XQRVVYSFSA-N
Molecular Weight 202.659 g/mol
SMILES N\C(=N/C=C/(C=O)Cl)SC#CC
SPLASH splash10-000i-3920000000-4776adc99f7b1a6c8f02
Source of Spectrum SB-37-117-0
Synonyms 1-(2-Chloro-3-oxo-1-propenyl)-2-(1-propynyl)-isothiourea 1-Propynyl N'-[(E,1Z)-2-chloro-3-oxo-1-propenyl]imidothiocarbamate
Wiley ID 1199152