NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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{4-[(carbamothioylamino)carbamoyl]phenyl}boronic acid
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IUPAC Traditional name
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4-(carbamothioylaminocarbamoyl)phenylboronic acid
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Synonyms
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2-(4-Boronobenzoyl)hydrazinecarbothioamide
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4-[(2-Carbamothioylhydrazino)carbonyl]benzeneboronic acid 98%
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4-(2-Carbamothioylhydrazinecarbonyl)phenylboronic acid
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4-(2-Carbamothioylhydrazinocarbonyl)benzeneboronic acid
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4-(2-硫代氨甲酰肼基羰基)苯硼酸
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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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8.578495
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H Acceptors
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3
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H Donor
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5
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LogD (pH = 5.5)
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0.37283963
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LogD (pH = 7.4)
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0.34546748
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Log P
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0.3732
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Molar Refractivity
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59.2154 cm3
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Polarizability
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23.942953 Å3
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Polar Surface Area
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107.61 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent