NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-tert-butyl-1-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-2-methyl-1H-pyrrole-3-carboxylic acid
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IUPAC Traditional name
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5-tert-butyl-1-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-2-methylpyrrole-3-carboxylic acid
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Synonyms
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5-tert-Butyl-1-[2-(2-hydroxyethylthio)ethyl]-2-methylpyrrole-3-carboxylic acid
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
LogD (pH = 7.4)
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-0.9641216
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Log P
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2.4415894
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Molar Refractivity
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80.2842 cm3
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Polarizability
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30.398054 Å3
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Polar Surface Area
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62.46 Å2
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Rotatable Bonds
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7
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Lipinski's Rule of Five
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true
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Acid pKa
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3.3888342
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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0.34334192
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PROPERTIES
PROPERTIES
Physical Property
Safety Information
Bioassay(PubChem)
Melting Point
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157-160°C
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Show
data source
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Storage Warning
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Irritant
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent