NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-(pyridin-4-yl)-1H-1,2,4-triazole-3-thiol
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5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
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IUPAC Traditional name
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5-(pyridin-4-yl)-1H-1,2,4-triazole-3-thiol
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5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
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Synonyms
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5-(4-Pyridyl)-1H-1,2,4-triazole-3-thiol
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5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol
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5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
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5-(4-吡啶基)-1H-1,2,4-三唑-3-硫醇
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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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7.5283666
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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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0.46397495
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LogD (pH = 7.4)
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0.20919564
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Log P
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0.47887915
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Molar Refractivity
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59.6568 cm3
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Polarizability
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18.701242 Å3
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Polar Surface Area
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54.46 Å2
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Rotatable Bonds
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1
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent