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2-(3,3-dimethyl-2-oxobutyl)sulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![2-(3,3-dimethyl-2-oxobutyl)sulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/368e870a284b4ef5bd67f7a5f924e37c.png "2-(3,3-dimethyl-2-oxobutyl)sulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one")
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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CAS No:
728925-35-7
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Formula:
C16H20N2O2S2
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Chemical Name:
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
ZINC3300373;AKOS033294488;MCULE-2144688088;Z13685826;5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one;728925-35-7
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CAS No:
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
336.5 g/mol
336.09662023 g/mol
Computed Properties
Molecular Weight:336.5
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:336.09662023
Monoisotopic Mass:336.09662023
Topological Polar Surface Area:112
Heavy Atom Count:22
Complexity:513
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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