2-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)acetonitrile
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![2-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)acetonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/082a8a523bed4aa5b1a53785c4d54468.png "2-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)acetonitrile")
2-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)acetonitrile
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CAS No:
568543-67-9
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Formula:
C12H11N3OS
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Chemical Name:
2-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)acetonitrile
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Synonyms:
568543-67-9;2-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl}acetonitrile;Enamine_005152;HMS1408K04;ZINC3268153;SBB077982;AKOS000116670;AKOS000282192;MCULE-6235949169;NE29909;2-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)acetonitrile;IDI1_007739;EN300-01490;SR-01000039502;J-501460;SR-01000039502-1;Z56886503;2-(4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-yl)ethanenitr ile;4-Oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-acetonitrile;2-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0?,?]trideca-1(9),2(7),5-trien-5-yl}acetonitrile;2-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}acetonitrile
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CAS No:
2-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)acetonitrile Basic Attributes
245.30 g/mol
245.06228316 g/mol
Computed Properties
Molecular Weight:245.30
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:245.06228316
Monoisotopic Mass:245.06228316
Topological Polar Surface Area:93.5
Heavy Atom Count:17
Complexity:425
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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