2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a776f299262b4ece92c1f4fc66a7f4b6.png "2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one")
2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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CAS No:
742120-02-1
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Formula:
C18H15F3N2OS2
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Chemical Name:
2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
ZINC2616125;AKOS034389336;MCULE-8906061480;Z46359638;5-({[3-(trifluoromethyl)phenyl]sulfanyl}methyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one;742120-02-1
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CAS No:
2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
396.5 g/mol
396.05778994 g/mol
Computed Properties
Molecular Weight:396.5
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:396.05778994
Monoisotopic Mass:396.05778994
Topological Polar Surface Area:95
Heavy Atom Count:26
Complexity:583
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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