NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-[(3-bromophenyl)methyl]-1,3,5-triazinane-2-thione
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IUPAC Traditional name
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5-[(3-bromophenyl)methyl]-1,3,5-triazinane-2-thione
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Synonyms
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5-[(3-Bromophenyl)methyl]tetrahydro-1,3,5-triazine-2(1H)-thione
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CAS 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
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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12.773778
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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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2.533758
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LogD (pH = 7.4)
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2.5339305
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Log P
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2.533935
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Molar Refractivity
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68.8314 cm3
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Polarizability
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26.912884 Å3
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Polar Surface Area
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27.3 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent