Molecule

ID:136610

General Information
Structure
MolImage
Molecular Formula
C₃H₉IOS
Molecular Mass
223.05039451
Exact Mass
222.95194842
Charge
0
InChI
InChI=1S/C3H9OS.HI/c1-5(2,3)4;/h1-3H3;1H/q+1;/p-1/i1+1,2+1,3+1;
InChIKey
BPLKQGGAXWRFOE-HCULJTSZSA-M
Canonic Smiles
[13CH3][S+](=O)([13CH3])[13CH3].[I-]
Isomeric Smiles
[13CH3][S+](=O)([13CH3])[13CH3].[I-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-2.5195513
LogD (pH = 7.4)
-2.5195513
Log P
-2.5195513
Molar Refractivity
24.539
Polarizability
10.235904
Polar Surface Area
17.07
Rotatable Bonds
0
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