2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methylsulfanyl]acetic acid
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![2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methylsulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/61c114e69a354ba6a17cfe0fa2076d40.png "2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methylsulfanyl]acetic acid")
2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methylsulfanyl]acetic acid
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CAS No:
749920-70-5
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Formula:
C12H12N2O3S2
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Chemical Name:
2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methylsulfanyl]acetic acid
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Synonyms:
{[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)methyl]thio}acetic acid;749920-70-5;ZINC2656591;AKOS015938816;MCULE-7763203648;NE45213;EN300-10038;Z55942759;([(4-Oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)methyl]thio)acetic acid, AldrichCPR;2-[({12-oxo-7-thia-9,11-diazatricyclo[6.4.0.0?,?]dodeca-1(8),2(6),9-trien-10-yl}methyl)sulfanyl]acetic acid;2-[({12-oxo-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl}methyl)sulfanyl]acetic acid;2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methylsulfanyl]acetic acid
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CAS No:
2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methylsulfanyl]acetic acid Basic Attributes
296.4 g/mol
296.02893460 g/mol
Computed Properties
Molecular Weight:296.4
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:296.02893460
Monoisotopic Mass:296.02893460
Topological Polar Surface Area:132
Heavy Atom Count:19
Complexity:441
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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