2-(2-hydroxyethylsulfanyl)-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![2-(2-hydroxyethylsulfanyl)-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d1d195849a264cc3b1a6897bcd0ac3a6.png "2-(2-hydroxyethylsulfanyl)-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one")
2-(2-hydroxyethylsulfanyl)-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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CAS No:
42062-94-2
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Formula:
C15H18N2O2S2
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Chemical Name:
2-(2-hydroxyethylsulfanyl)-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
42062-94-2;5-[(2-hydroxyethyl)sulfanyl]-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one;ZINC3176064;AKOS001016966;MCULE-4885466222;2-(2-hydroxyethylsulfanyl)-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one;SR-01000009374;SR-01000009374-1;Z56790536;F0825-0028;3-allyl-2-((2-hydroxyethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
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CAS No:
2-(2-hydroxyethylsulfanyl)-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
322.5 g/mol
322.08097017 g/mol
Computed Properties
Molecular Weight:322.5
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:322.08097017
Monoisotopic Mass:322.08097017
Topological Polar Surface Area:106
Heavy Atom Count:21
Complexity:455
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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