NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-chloro-5-(4,4-dimethyl-2-sulfanyl-1,4-dihydropyrimidin-1-yl)benzoic acid
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IUPAC Traditional name
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2-chloro-5-(4,4-dimethyl-2-sulfanylpyrimidin-1-yl)benzoic acid
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Synonyms
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2-Chloro-5-(2-mercapto-4,4-dimethylpyrimidin-1(4H)-yl)benzoic 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
Acid pKa
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3.254841
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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1.936254
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LogD (pH = 7.4)
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-0.22122571
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Log P
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2.466103
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Molar Refractivity
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79.375 cm3
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Polarizability
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29.589542 Å3
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Polar Surface Area
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52.9 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Bioassay(PubChem)
Storage Warning
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IRRITANT
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Show
data source
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MSDS Link
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TSCA Listed
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false
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent