2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/489e1f2f24d8494484e69550360aa6e7.png "2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one")
2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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CAS No:
721426-49-9
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Formula:
C17H13F3N2OS2
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Chemical Name:
2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
721426-49-9;5-sulfanyl-4-[3-(trifluoromethyl)phenyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one;ZINC6017151;SBB077975;AKOS005198718;MCULE-3905810927;NE12615;2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one;EN300-03155;Z56862711;2-sulfanyl-3-[3-(trifluoromethyl)phenyl]-3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-4-one;5-Sulfanyl-4-[3-(trifluoromethyl)phenyl]-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one;5-sulfanyl-4-[3-(trifluoromethyl)phenyl]-8-thia-4,6-diazatricyclo[7.4.0.0?,?]trideca-1(9),2(7),5-trien-3-one
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CAS No:
2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
382.4 g/mol
382.04213988 g/mol
Computed Properties
Molecular Weight:382.4
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:382.04213988
Monoisotopic Mass:382.04213988
Topological Polar Surface Area:92.7
Heavy Atom Count:25
Complexity:571
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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