NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-[(2-aminoethyl)sulfanyl]-1,2-dimethylbenzene hydrochloride
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IUPAC Traditional name
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4-[(2-aminoethyl)sulfanyl]-1,2-dimethylbenzene hydrochloride
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Synonyms
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2-[(3,4-dimethylphenyl)thio]ethanamine hydrochloride
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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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-0.4176247
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LogD (pH = 7.4)
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0.51051587
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Log P
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2.5716364
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Molar Refractivity
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57.0523 cm3
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Polarizability
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22.148958 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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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