NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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methyl 1-methyl-2-sulfanyl-1H-imidazole-5-carboxylate
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IUPAC Traditional name
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methyl 3-methyl-2-sulfanylimidazole-4-carboxylate
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Synonyms
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Methyl 1-methyl-2-sulfanyl-1H-imidazole-5-carboxylate
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Methyl 2-mercapto-1-methyl-1H-imidazole-5-carboxylate
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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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7.4585795
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H Acceptors
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2
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H Donor
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1
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LogD (pH = 5.5)
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0.7726165
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LogD (pH = 7.4)
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0.52061504
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Log P
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0.7793871
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Molar Refractivity
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43.2954 cm3
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Polarizability
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16.459421 Å3
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Polar Surface Area
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44.12 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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PATENTS
PATENTS
PubChem Patent
Google Patent