NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-{[(4-fluorophenyl)methyl]sulfanyl}ethan-1-amine
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IUPAC Traditional name
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2-{[(4-fluorophenyl)methyl]sulfanyl}ethanamine
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Synonyms
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2-(4-Fluorobenzylthio)ethylamine 95%
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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
H Acceptors
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1
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H Donor
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1
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LogD (pH = 5.5)
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-1.0747759
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LogD (pH = 7.4)
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-0.3054751
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Log P
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1.9303074
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Molar Refractivity
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51.9229 cm3
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Polarizability
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20.08695 Å3
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Polar Surface Area
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26.02 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
Safety Information
Bioassay(PubChem)
Boiling Point
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98°C/0.5mm
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Show
data source
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Storage Warning
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Irritant/Stench
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent