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3-(3,4-dichlorophenyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one

View entire compound with spectra: 1 MS (GC)

3-(3,4-dichlorophenyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
SpectraBase Compound ID CHBwGLoHxd9
InChI InChI=1S/C12H6Cl2N2OS2/c13-7-2-1-6(5-8(7)14)16-11(17)10-9(3-4-19-10)15-12(16)18/h1-5H,(H,15,18)
InChIKey KPPOMEKFRMJMQM-UHFFFAOYSA-N
Mol Weight 329.22 g/mol
Molecular Formula C12H6Cl2N2OS2
Exact Mass 327.929861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3EtQVGcWGxr
Name 3-(3,4-dichlorophenyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6Cl2N2OS2
InChI InChI=1S/C12H6Cl2N2OS2/c13-7-2-1-6(5-8(7)14)16-11(17)10-9(3-4-19-10)15-12(16)18/h1-5H,(H,15,18)
InChIKey KPPOMEKFRMJMQM-UHFFFAOYSA-N
Molecular Weight 329.219 g/mol
SMILES N1C(N(C(c2sccc12)=O)c1cc(Cl)c(cc1)Cl)=S
SPLASH splash10-002b-9501000000-d0ddc2b91f6a86f1782d
Synonyms 3-(3,4-dichlorophenyl)-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one 3-(3,4-Dichlorophenyl)-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
Wiley ID 1510682