3-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanenitrile
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![3-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanenitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/893dc58da16a4ee49e2dd9ed60ceadbe.png "3-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanenitrile")
3-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanenitrile
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CAS No:
294653-96-6
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Formula:
C16H17N3OS2
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Chemical Name:
3-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanenitrile
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Synonyms:
3-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanenitrile;ZINC3150354;STK369262;AKOS001044937;MCULE-4488808075;ST50894328;Z20216620;294653-96-6;3-(4-oxo-3-prop-2-enyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2 -ylthio)propanenitrile;3-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}propanenitrile
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CAS No:
3-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanenitrile Basic Attributes
331.5 g/mol
331.08130452 g/mol
Computed Properties
Molecular Weight:331.5
XLogP3:3.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:331.08130452
Monoisotopic Mass:331.08130452
Topological Polar Surface Area:110
Heavy Atom Count:22
Complexity:539
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
- Hot Searches
- serpiginous
- copper sulphide
- thiophene
- mirtazapine drugs
- difenidol
- cyanic acid
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