NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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tert-butyl N-(5-isothiocyanatopentyl)carbamate
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IUPAC Traditional name
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tert-butyl N-(5-isothiocyanatopentyl)carbamate
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Synonyms
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tert-Butyl N-(5-isothiocyanatopentyl)carbamate
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N-Boc-5-isothiocyanatopentylamine
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N-(5-异硫氰酰基戊基)氨基甲酸叔丁酯
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N-Boc-5-异硫氰酰基戊胺
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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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15.655905
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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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2.7866547
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LogD (pH = 7.4)
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2.7866547
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Log P
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2.7866547
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Molar Refractivity
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68.2629 cm3
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Polarizability
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26.768589 Å3
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Polar Surface Area
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50.69 Å2
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Rotatable Bonds
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8
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent