3-ALLYL-2-MERCAPTO-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
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![3-ALLYL-2-MERCAPTO-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2448ffb94ea24f5e862a076e6fc69949.png "3-ALLYL-2-MERCAPTO-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE")
3-ALLYL-2-MERCAPTO-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
structure -
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CAS No:
42062-91-9
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Formula:
C13H14N2OS2
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Chemical Name:
3-ALLYL-2-MERCAPTO-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
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Synonyms:
[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, 5,6,7,8-TETRAHYDRO-2-MERCAPTO-3-(2-PROPENYL)-;3-ALLYL-2-SULFANYL-3,4,5,6,7,8-HEXAHYDROBENZO[4,5]THIENO[2,3-B]PYRIDIN-4-ONE;3-ALLYL-2-MERCAPTO-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE;3-ALLYL-2-MERCAPTO-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE;AKOS 94375;AKOS BBS-00003524;3-Allyl-2-Mercapto-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-b]pyriMidin-4-one, 96%
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CAS No:
Description
3-prop-2-enyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one is an organic heterobicyclic compound, an organonitrogen heterocyclic compound and an organosulfur heterocyclic compound.
3-ALLYL-2-MERCAPTO-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE Basic Attributes
278.39
278.05500
DTXSID50355658
2934999090
Computed Properties
Molecular Weight:278.4
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:278.05475542
Monoisotopic Mass:278.05475542
Topological Polar Surface Area:92.7
Heavy Atom Count:18
Complexity:399
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
3-ALLYL-2-MERCAPTO-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
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