Molecule

ID:53181

General Information
Structure
MolImage
Molecular Formula
C₄H₉NS
Molecular Mass
103.18596
Exact Mass
103.04557029
Charge
0
InChI
InChI=1S/C4H9NS/c1-3-6-4-2-5-1/h5H,1-4H2
InChIKey
BRNULMACUQOKMR-UHFFFAOYSA-N
Canonic Smiles
C1CNCCS1
Isomeric Smiles
C1CNCCS1
Calculated Properties
JChem
LogD (pH = 7.4)
-1.75
LogD (pH = 5.5)
-2.97
Log P
0.17
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
9.33
Polar Surface Area
12.03
Polarizability
11.27
Molar Refractivity
30.05
LOG S
-0.22
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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