2,3,5,6,7,8-Hexahydro-3-(4-methylphenyl)-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
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![2,3,5,6,7,8-Hexahydro-3-(4-methylphenyl)-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1bcae9e0e7c248768e95ad4fee630380.png "2,3,5,6,7,8-Hexahydro-3-(4-methylphenyl)-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one")
2,3,5,6,7,8-Hexahydro-3-(4-methylphenyl)-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
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CAS No:
59898-69-0
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Formula:
C17H16N2OS2
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Chemical Name:
2,3,5,6,7,8-Hexahydro-3-(4-methylphenyl)-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
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Synonyms:
[1]Benzothieno[2,3-d]pyrimidin-4(1H)-one,2,3,5,6,7,8-hexahydro-3-(4-methylphenyl)-2-thioxo-;2,3,5,6,7,8-Hexahydro-3-(4-methylphenyl)-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one;3-(4-Methylphenyl)-4-oxo-2-thioxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-d]pyrimidine;2-Thioxo-3-p-tolyl-2,3,5,6,7,8-hexahydro-1H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one;2-Mercapto-3-p-tolyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
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CAS No:
2,3,5,6,7,8-Hexahydro-3-(4-methylphenyl)-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one Basic Attributes
328.45200
328.45
DTXSID60354293
2934999090
Characteristics
101.93000
3.92310
1.41g/cm3
276-278 °C @ Solvent: Acetonitrile
541.5ºC
281.3ºC
1.731
Computed Properties
Molecular Weight:328.5
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:328.07040549
Monoisotopic Mass:328.07040549
Topological Polar Surface Area:92.7
Heavy Atom Count:22
Complexity:475
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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