NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-cyano-5-(phenylimino)-2,5-dihydro-1,2-thiazol-3-yl ethyl ethoxy(sulfanylidene)phosphonite
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IUPAC Traditional name
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4-cyano-5-(phenylimino)-2H-1,2-thiazol-3-yl ethyl ethoxy(sulfanylidene)phosphonite
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Synonyms
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3-[(diethoxyphosphorothioyl)oxy]-5-(phenylimino)-2,5-dihydroisothiazole-4-carbonitrile
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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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6.475953
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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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4.139861
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LogD (pH = 7.4)
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3.384122
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Log P
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4.1807675
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Molar Refractivity
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118.5384 cm3
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Polarizability
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37.64607 Å3
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Polar Surface Area
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75.87 Å2
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Rotatable Bonds
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7
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent