NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
|
|
|
IUPAC Traditional name
|
4-ethyl-5-(3-methylphenyl)-1,2,4-triazole-3-thiol
|
|
|
Synonyms
|
4-Ethyl-5-m-tolyl-4H-[1,2,4]triazole-3-thiol
|
4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
|
|
|
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
|
8.178077
|
H Acceptors
|
2
|
H Donor
|
1
|
LogD (pH = 5.5)
|
2.7895138
|
LogD (pH = 7.4)
|
2.7262034
|
Log P
|
2.790457
|
Molar Refractivity
|
76.5002 cm3
|
Polarizability
|
24.972729 Å3
|
Polar Surface Area
|
30.71 Å2
|
Rotatable Bonds
|
2
|
Lipinski's Rule of Five
|
true
|
PATENTS
PATENTS
PubChem Patent
Google Patent