Molecule

ID:2678

General Information
Structure
MolImage
Molecular Formula
C₆H₉NOS
Molecular Mass
143.20676
Exact Mass
143.04048491
Charge
0
InChI
InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3
InChIKey
BKAWJIRCKVUVED-UHFFFAOYSA-N
Canonic Smiles
Cc1ncsc1CCO
Isomeric Smiles
Cc1c(CCO)scn1
Calculated Properties
JChem
LogD (pH = 7.4)
0.42
LogD (pH = 5.5)
0.42
Log P
0.42
Rotatable Bonds
2
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
3.12
Polar Surface Area
33.12
Polarizability
14.92
Molar Refractivity
37.32
LOG S
-0.45
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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