4-[(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid
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![4-[(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/31c3cce3de3040d7a47aa776cbf85981.png "4-[(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid")
4-[(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid
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CAS No:
678146-42-4
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Formula:
C19H18N2O3S2
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Chemical Name:
4-[(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid
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Synonyms:
MLS000778641;CHEMBL1466541;HMS2769L05;ZINC2265797;STL339227;AKOS002190464;MCULE-3101086664;SMR000415435;ST50081942;4-(((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoic acid;4-({[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid;4-(3-Allyl-5,6-dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidin-2-ylsulfanylmethyl)-benzoic acid;4-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio )methyl]benzoic acid;678146-42-4
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CAS No:
4-[(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid Basic Attributes
386.5 g/mol
386.07588479 g/mol
Computed Properties
Molecular Weight:386.5
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:386.07588479
Monoisotopic Mass:386.07588479
Topological Polar Surface Area:124
Heavy Atom Count:26
Complexity:602
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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