NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-[(prop-2-en-1-yl)amino]-1λ6-thiolane-1,1-dione
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IUPAC Traditional name
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3-(prop-2-en-1-ylamino)-1λ6-thiolane-1,1-dione
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Synonyms
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N-allyltetrahydrothiophen-3-amine 1,1-dioxide
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N-Allyltetrahydrothiophen-3-amine 1,1-dioxide hydrochloride
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CAS Number
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MDL Number
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MFCD00087588
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MFCD06799660
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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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3
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H Donor
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1
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LogD (pH = 5.5)
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-3.1455386
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LogD (pH = 7.4)
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-1.4114263
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Log P
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-0.681545
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Molar Refractivity
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44.4071 cm3
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Polarizability
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18.365984 Å3
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Polar Surface Area
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46.17 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