Molecule

ID:113296

General Information
Structure
MolImage
Molecular Formula
C₅H₈KNO₂S₃
Molecular Mass
249.41582
Exact Mass
248.93542318
Charge
0
InChI
InChI=1S/C5H9NO2S3.K/c7-11(8)2-1-4(3-11)6-5(9)10;/h4H,1-3H2,(H2,6,9,10);/q;+1/p-1
InChIKey
LVYMNMYNYRQFAC-UHFFFAOYSA-M
Canonic Smiles
[S-]C(=S)NC1CCS(=O)(=O)C1.[K+]
Isomeric Smiles
S1(=O)(=O)CC(NC(=S)[S-])CC1.[K+]
Calculated Properties
JChem
Acid pKa
2.0293806
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2908385
LogD (pH = 7.4)
-1.2927053
Log P
-0.14974762
Molar Refractivity
51.915
Polarizability
21.33476
Polar Surface Area
46.17
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
暂无数据
点击上传数据
References
Bioactivity
Navigation