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Pyrimido[4,5-b]benzothiophene-4(3H)-thione, 1,2,5,6,7,8-hexahydro-8-methyl-2-spiro(4-methylcyclohexane)-
SpectraBase Compound ID SIPaCcnkO9
InChI InChI=1S/C17H24N2S2/c1-10-5-7-17(8-6-10)18-15(20)14-12-4-3-11(2)9-13(12)21-16(14)19-17/h10-11,19H,3-9H2,1-2H3,(H,18,20)
InChIKey OXYJBAKNPJBJDZ-UHFFFAOYSA-N
Mol Weight 320.51 g/mol
Molecular Formula C17H24N2S2
Exact Mass 320.138091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HeYq5VZKZT
Name Pyrimido[4,5-b]benzothiophene-4(3H)-thione, 1,2,5,6,7,8-hexahydro-8-methyl-2-spiro(4-methylcyclohexane)-
CAS Registry Number 347363-81-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24N2S2
InChI InChI=1S/C17H24N2S2/c1-10-5-7-17(8-6-10)18-15(20)14-12-4-3-11(2)9-13(12)21-16(14)19-17/h10-11,19H,3-9H2,1-2H3,(H,18,20)
InChIKey OXYJBAKNPJBJDZ-UHFFFAOYSA-N
Molecular Weight 320.513 g/mol
SMILES N1C2(NC(c3c1sc1c3CCC(C1)C)=S)CCC(CC2)C
SPLASH splash10-03kc-9582000000-7b17ed548bde2f4de067
Source of Spectrum AD-0-2532-0
Synonyms 4',7-dimethyl-4-spiro[1,3,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidine-2,1'-cyclohexane]thione 4',7-dimethylspiro[1,3,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidine-2,1'-cyclohexane]-4-thione 4',7-dimethylspiro[1,3,5,6,7,8-hexahydrobenzothiopheno[2,3-d]pyrimidine-2,1'-cyclohexane]-4-thione
Wiley ID 1431867