3-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![3-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/63c4e4bb5dab44298336d0e001d3323a.png "3-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one")
3-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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CAS No:
315695-48-8
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Formula:
C20H20N2OS2
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Chemical Name:
3-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
315695-48-8;2-(cinnamylthio)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one;2-(cinnamylsulfanyl)-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;HMS1480A11;ZINC1895710;STK837357;AKOS001656439;3-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one;ST50032347;AF-399/40634589;SR-01000471510;SR-01000471510-1;F0876-0032;2-((2E)-3-phenylprop-2-enylthio)-3-methyl-3,5,6,7,8-pentahydrobenzo[b]thiophen o[2,3-d]pyrimidin-4-one;3-methyl-2-{[(2E)-3-phenyl-2-propenyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;3-methyl-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;3-methyl-2-{[(2E)-3-phenylprop-2-enyl]thio}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
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CAS No:
3-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
368.5 g/mol
368.10170561 g/mol
Safety Information
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:368.5
XLogP3:5.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:368.10170561
Monoisotopic Mass:368.10170561
Topological Polar Surface Area:86.2
Heavy Atom Count:25
Complexity:556
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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