3-octyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![3-octyl-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/c9f859b03eb14daba9d6c5ebc8345e72.png "3-octyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one")
3-octyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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CAS No:
380436-78-2
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Formula:
C18H26N2OS2
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Chemical Name:
3-octyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
4-octyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one;380436-78-2;ZINC3228215;AKOS000116416;MCULE-8329844252;NE40111;3-octyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one;EN300-03395;Z56828370;2-Mercapto-3-octyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one;4-octyl-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-octyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
350.5 g/mol
350.14865580 g/mol
Computed Properties
Molecular Weight:350.5
XLogP3:5.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:350.14865580
Monoisotopic Mass:350.14865580
Topological Polar Surface Area:92.7
Heavy Atom Count:23
Complexity:443
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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