NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2,3-dihydro-1,4-benzodioxine-2-carbothioamide
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IUPAC Traditional name
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2,3-dihydro-1,4-benzodioxine-2-carbothioamide
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Synonyms
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2,3-Dihydro-1,4-benzodioxin-2-carbothioamide
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1,4-Benzodioxane-2-thiocarboxamide
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2,3-dihydro-1,4-benzodioxine-2-carbothioamide
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1,4-苯并二氧六环-2-硫代甲酰胺
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CAS Number
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EC 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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10.431793
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H Acceptors
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2
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H Donor
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1
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LogD (pH = 5.5)
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1.2592494
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LogD (pH = 7.4)
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1.2596047
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Log P
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1.2592449
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Molar Refractivity
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52.6584 cm3
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Polarizability
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21.047247 Å3
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Polar Surface Area
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44.48 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