NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
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IUPAC Traditional name
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3-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
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Synonyms
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4-(3,4-Dimethoxyphenethyl)-3-thiosemicarbazide
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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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13.99943
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H Acceptors
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3
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H Donor
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3
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LogD (pH = 5.5)
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1.1414193
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LogD (pH = 7.4)
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1.1509055
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Log P
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1.1510279
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Molar Refractivity
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72.8083 cm3
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Polarizability
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28.023384 Å3
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Polar Surface Area
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68.54 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent