NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-(4-chlorophenyl)-4-(2-methoxyethyl)-4H-1,2,4-triazole-3-thiol
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IUPAC Traditional name
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5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-thiol
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Synonyms
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5-(4-Chloro-phenyl)-4-(2-methoxy-ethyl)-4H-[1,2,4]triazole-3-thiol
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CAS Number
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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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7.5377803
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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2.4734192
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LogD (pH = 7.4)
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2.2514079
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Log P
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2.4772968
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Molar Refractivity
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82.5587 cm3
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Polarizability
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27.612875 Å3
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Polar Surface Area
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39.94 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Physical Property
Product Information
Bioassay(PubChem)
Hydrophobicity(logP)
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2.345
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Show
data source
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Purity
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95%
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent