3-ethyl-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-ethyl-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/20220812/697d831da5734ccc9407d0582b7a5b98.png "3-ethyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one")
3-ethyl-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:
679417-21-1
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Formula:
C21H22N2OS2
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Chemical Name:
3-ethyl-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:
2-(Cinnamylthio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one;679417-21-1;ZINC2522385;STL339023;AKOS002188178;ST50081346;2-(CINNAMYLTHIO)-3-ET-5,6,7,8-TETRAHYDRO(1)BENZOTHIENO(2,3-D)PYRIMIDIN-4(3H)-ONE;2-((2E)-3-phenylprop-2-enylthio)-3-ethyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-4-one;3-ethyl-2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
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CAS No:
3-ethyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
382.5 g/mol
382.11735568 g/mol
Safety Information
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P273, P280, P305+P351+P338, P337+P313, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:382.5
XLogP3:5.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:382.11735568
Monoisotopic Mass:382.11735568
Topological Polar Surface Area:86.2
Heavy Atom Count:26
Complexity:570
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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