2-[[2-[(4-bromophenyl)sulfanylmethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanyl]acetic acid
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![2-[[2-[(4-bromophenyl)sulfanylmethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/07c80a58498f412ba7ce23b2728e9e7b.png "2-[[2-[(4-bromophenyl)sulfanylmethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanyl]acetic acid")
2-[[2-[(4-bromophenyl)sulfanylmethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanyl]acetic acid
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CAS No:
742090-80-8
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Formula:
C19H17BrN2O2S3
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Chemical Name:
2-[[2-[(4-bromophenyl)sulfanylmethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanyl]acetic acid
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Synonyms:
ZINC3310835;AKOS034154436;MCULE-5551198404;AB00722847-01;Z31205720;2-[(5-{[(4-bromophenyl)sulfanyl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraen-3-yl)sulfanyl]acetic acid;742090-80-8
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CAS No:
2-[[2-[(4-bromophenyl)sulfanylmethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanyl]acetic acid Basic Attributes
481.5 g/mol
479.96355 g/mol
Computed Properties
Molecular Weight:481.5
XLogP3:6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:479.96355
Monoisotopic Mass:479.96355
Topological Polar Surface Area:142
Heavy Atom Count:27
Complexity:521
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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