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2-mercapto-4(3H)-quinazolinone
SpectraBase Compound ID HRDRkKBWoaf
InChI InChI=1S/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
InChIKey PUPFOFVEHDNUJU-UHFFFAOYSA-N
Mol Weight 178.21 g/mol
Molecular Formula C8H6N2OS
Exact Mass 178.020084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2r8D9UIVLNH
Name 2-Sulfanyl-4(3H)-quinazolinone
CAS Registry Number 13906-09-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2OS
InChI InChI=1S/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
InChIKey PUPFOFVEHDNUJU-UHFFFAOYSA-N
Molecular Weight 178.209 g/mol
SMILES N1C(Nc2c(cccc2)C1=O)=S
SPLASH splash10-02dl-9600000000-0f10e900d22e5c3a52f9
Source of Spectrum IY-2-4851-3
Synonyms 2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one 2,3-Dihydro-2-thioxoquinazolin-4(1H)-one 2-Mercapto-4(3H)-quinazolinone 2-sulfanylidene-1H-quinazolin-4-one 4(1H)-Quinazolinone, 2,3-dihydro-2-thioxo- 2-Thioxo-1H-quinazolin-4-one EINECS 237-676-3
Wiley ID 1656736