Molecule

ID:124685

General Information
Structure
MolImage
Molecular Formula
C₅H₉NS
Molecular Mass
115.19666
Exact Mass
115.04557029
Charge
0
InChI
InChI=1S/C5H9NS/c1-5(2,3)6-4-7/h1-3H3
InChIKey
ZFWFRTVIIMTOLY-UHFFFAOYSA-N
Canonic Smiles
S=C=NC(C)(C)C
Isomeric Smiles
C(=NC(C)(C)C)=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1236098
LogD (pH = 7.4)
2.1236098
Log P
2.1236098
Molar Refractivity
35.1347
Polarizability
13.834396
Polar Surface Area
12.36
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation