2-[(12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]acetic acid
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![2-[(12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/29120ecf32e544a9b6ada522608934c2.png "2-[(12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]acetic acid")
2-[(12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]acetic acid
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CAS No:
799824-17-2
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Formula:
C14H16N2O3S3
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Chemical Name:
2-[(12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]acetic acid
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Synonyms:
MLS000778209;SMR000414967;(6,6-Dimethyl-2-methylsulfanyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-aceti c acid;CHEMBL1483727;BDBM45696;cid_1868051;HMS2765L19;ZINC2237023;STK720781;AKOS001776862;CCG-124834;MCULE-6355249746;{[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetic acid;{[6,6-dimethyl-2-(methylthio)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]thio}acetic acid;2-[(6,6-dimethyl-2-methylsulfanyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl)sulfanyl]acetic acid;2-[(6,6-dimethyl-2-methylsulfanyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl)sulfanyl]ethanoic acid;2-[[6,6-dimethyl-2-(methylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]acetic acid;799824-17-2
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CAS No:
2-[(12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]acetic acid Basic Attributes
356.5 g/mol
356.03230590 g/mol
Computed Properties
Molecular Weight:356.5
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:356.03230590
Monoisotopic Mass:356.03230590
Topological Polar Surface Area:151
Heavy Atom Count:22
Complexity:438
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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