3-(3-methylbutyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![3-(3-methylbutyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9a146555863a4007832129f9ec157462.png "3-(3-methylbutyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one")
3-(3-methylbutyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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CAS No:
734544-87-7
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Formula:
C15H20N2OS2
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Chemical Name:
3-(3-methylbutyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
4-(3-methylbutyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one;734544-87-7;ZINC6459350;AKOS008967092;MCULE-2705084240;NE18895;3-(3-methylbutyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one;EN300-06577;Z56930709;4-(3-Methylbutyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one;4-(3-methylbutyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0?,?]trideca-1(9),2(7),5-trien-3-one
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CAS No:
3-(3-methylbutyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
308.5 g/mol
308.10170561 g/mol
Computed Properties
Molecular Weight:308.5
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:308.10170561
Monoisotopic Mass:308.10170561
Topological Polar Surface Area:92.7
Heavy Atom Count:20
Complexity:413
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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