NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
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IUPAC Traditional name
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5-(trifluoromethyl)-2,4-dihydro-1,2,4-triazole-3-thione
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Synonyms
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5-(Trifluoromethyl)-4H-1,2,4-triazole-3(2H)thione
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3-Mercapto-5-trifluoromethyl Triazole
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1,2-Dihydro-5-(trifluoromethyl)-3H-1,2,4-triazole-3-thione
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5-Trifluoromethyl-4H-1,2,4-triazole-3(2H)thione
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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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7.4951086
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H Acceptors
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1
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H Donor
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2
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LogD (pH = 5.5)
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1.4582987
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LogD (pH = 7.4)
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1.2286028
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Log P
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1.4623398
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Molar Refractivity
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32.1667 cm3
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Polarizability
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11.605446 Å3
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Polar Surface Area
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36.42 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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PATENTS
PATENTS
PubChem Patent
Google Patent