NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
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IUPAC Traditional name
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[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
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Synonyms
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(5-Methyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid
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[(5-methyl-1,3,4-oxadiazol-2-yl)thio]acetic acid
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[(5-Methyl-1,3,4-oxadiazol-2-yl)thio]acetic acid
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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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3.2653449
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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-2.6588397
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LogD (pH = 7.4)
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-3.8763497
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Log P
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-0.44313318
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Molar Refractivity
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39.8887 cm3
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Polarizability
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14.705467 Å3
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Polar Surface Area
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76.22 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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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
CBR01097
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Analysis Note may contain trace amounts of KCl Other Notes Please note that Sigma-Aldrich does not collect analytical data for AldrichCPR products and that all sales are final.All AldrichCPR products, and other building blocks or screening compounds that are part of this collection, are also available as custom packaged libraries - for more details about this service or for further information on this product, please contact us at AldrichCPR@sial.com. Legal Information Product of ChemBridge Corp. |
PATENTS
PATENTS
PubChem Patent
Google Patent