NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-(prop-2-en-1-yl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
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IUPAC Traditional name
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4-(prop-2-en-1-yl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
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Synonyms
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3-allyl-2-mercapto-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
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3-Allyl-2-mercapto-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-b]pyrimidin-4-one
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3-Allyl-2-mercapto-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
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CAS Number
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MDL Number
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MFCD00484392
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MFCD01465989
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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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6.4351454
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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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4.203059
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LogD (pH = 7.4)
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3.4584062
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Log P
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4.2464094
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Molar Refractivity
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78.4036 cm3
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Polarizability
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28.521742 Å3
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Polar Surface Area
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32.67 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