2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetic acid
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![2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/323a84a8613446f6a814cf7ca1f632b6.png "2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetic acid")
2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetic acid
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CAS No:
731826-75-8
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Formula:
C13H14N2O3S2
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Chemical Name:
2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetic acid
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Synonyms:
{[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]thio}acetic acid;731826-75-8;SCHEMBL6796142;ZINC3296679;AKOS015938807;MCULE-8745537390;NE41232;2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetic acid;EN300-07561;SR-01000048677;SR-01000048677-1;Z55942671;2-[({3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0?,?]trideca-1(9),2(7),5-trien-5-yl}methyl)sulfanyl]acetic acid;2-[({3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}methyl)sulfanyl]acetic acid
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CAS No:
2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetic acid Basic Attributes
310.4 g/mol
310.04458466 g/mol
Computed Properties
Molecular Weight:310.4
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:310.04458466
Monoisotopic Mass:310.04458466
Topological Polar Surface Area:132
Heavy Atom Count:20
Complexity:455
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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