2-METHYL-1-[4-(METHYLTHIO)PHENYL]-5-PHENYL-1H-PYRROLE-3-CARBOXYLICACID
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![2-METHYL-1-[4-(METHYLTHIO)PHENYL]-5-PHENYL-1H-PYRROLE-3-CARBOXYLICACID structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5576768392584e82baf306356134056d.png "2-METHYL-1-[4-(METHYLTHIO)PHENYL]-5-PHENYL-1H-PYRROLE-3-CARBOXYLICACID")
2-METHYL-1-[4-(METHYLTHIO)PHENYL]-5-PHENYL-1H-PYRROLE-3-CARBOXYLICACID
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CAS No:
306936-46-9
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Formula:
C19H17NO2S
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Chemical Name:
2-METHYL-1-[4-(METHYLTHIO)PHENYL]-5-PHENYL-1H-PYRROLE-3-CARBOXYLICACID
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Synonyms:
BUTTPARK 96\50-44;2-METHYL-1-[4-(METHYLTHIO)PHENYL]-5-PHENYL-1H-PYRROLE-3-CARBOXYLIC ACID;1-(4-METHYLTHIOPHENYL)-2-METHYL-5-PHENYLPYRROLE-3-CARBOXYLIC ACID;2-methyl-1-[4-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrole-3-carboxylic acid;1H-Pyrrole-3-carboxylic acid, 2-methyl-1-[4-(methylthio)phenyl]-5-phenyl-
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CAS No:
2-METHYL-1-[4-(METHYLTHIO)PHENYL]-5-PHENYL-1H-PYRROLE-3-CARBOXYLICACID Basic Attributes
323.41
323.09799996
DTXSID90371751
2933990090
Characteristics
67.53000
4.87280
1.19±0.1 g/cm3
202 °C
535.2±50.0 °C(Predicted)
277.5ºC
1.622
5.56±0.50
Computed Properties
Molecular Weight:323.4
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:323.09799996
Monoisotopic Mass:323.09799996
Topological Polar Surface Area:67.5
Heavy Atom Count:23
Complexity:402
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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