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N-PHENYL-2-THIOXOTETRAHYDROPYRIMIDINE-1(2H)-CARBOTHIOAMIDE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-PHENYL-2-THIOXOTETRAHYDROPYRIMIDINE-1(2H)-CARBOTHIOAMIDE
SpectraBase Compound ID DgATuyAQSOT
InChI InChI=1S/C11H13N3S2/c15-10-12-7-4-8-14(10)11(16)13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,15)(H,13,16)
InChIKey ODZVFTUZIRVENG-UHFFFAOYSA-N
Mol Weight 251.37 g/mol
Molecular Formula C11H13N3S2
Exact Mass 251.05509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6OFtzIKI6C6
Name N-phenyl-2-sulfanylidene-1,3-diazinane-1-carbothioamide
Alternate Name(s) N-phenyl-2-thioxo-hexahydropyrimidine-1-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13N3S2
InChI InChI=1S/C11H13N3S2/c15-10-12-7-4-8-14(10)11(16)13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,15)(H,13,16)
InChIKey ODZVFTUZIRVENG-UHFFFAOYSA-N
Molecular Weight 251.366 g/mol
SMILES N(C(N1C(NCCC1)=S)=S)c1ccccc1
SPLASH splash10-014i-4900000000-04a705f48892c1baeeb5
Source of Spectrum AJ-43-597-8
Wiley ID 1594056