NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
1-(4-methylbenzenesulfonyl)-1H-imidazole-4-carboxylic acid
|
|
|
IUPAC Traditional name
|
1-(4-methylbenzenesulfonyl)imidazole-4-carboxylic acid
|
|
|
Synonyms
|
1-Tosyl-1H-imidazole-4-carboxylic acid
|
1-[(4-Methylphenyl)sulphonyl]-1H-imidazole-4-carboxylic acid
|
1-Tosyl-1H-imidazole-4-carboxylic acid
|
|
|
CAS Number
|
|
MDL Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
3.2472372
|
H Acceptors
|
5
|
H Donor
|
1
|
LogD (pH = 5.5)
|
-0.9656326
|
LogD (pH = 7.4)
|
-2.1097178
|
Log P
|
1.3410045
|
Molar Refractivity
|
63.9585 cm3
|
Polarizability
|
25.06756 Å3
|
Polar Surface Area
|
89.26 Å2
|
Rotatable Bonds
|
2
|
Lipinski's Rule of Five
|
true
|
PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
Storage Warning
|
Irritant
|
Show
data source
|
|
Purity
|
95+%
|
Show
data source
|
|
PATENTS
PATENTS
PubChem Patent
Google Patent