NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
5-methyl-1-benzothiophene
|
|
|
IUPAC Traditional name
|
benzo[B]thiophene, 5-methyl-
|
|
|
Synonyms
|
5-Methyl-1-benzothiophene
|
5-Methylbenzo[b]thiophene
|
5-Methylthianaphthene
|
5-Methylbenzo[b]thiophene
|
5-甲基苯[b]噻酚
|
|
|
CAS Number
|
|
EC Number
|
|
MDL Number
|
|
Beilstein Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
|
0
|
H Donor
|
0
|
LogD (pH = 5.5)
|
3.362692
|
LogD (pH = 7.4)
|
3.362692
|
Log P
|
3.362692
|
Molar Refractivity
|
44.4393 cm3
|
Polarizability
|
18.318628 Å3
|
Polar Surface Area
|
0.0 Å2
|
Rotatable Bonds
|
0
|
Lipinski's Rule of Five
|
true
|
PATENTS
PATENTS
PubChem Patent
Google Patent