Molecule

ID:112495

General Information
Structure
MolImage
Molecular Formula
C₄H₉NS
Molecular Mass
103.18596
Exact Mass
103.04557029
Charge
0
InChI
InChI=1S/C4H9NS/c1-4(6)5(2)3/h1-3H3
InChIKey
LKNQXZAHNDFIQY-UHFFFAOYSA-N
Canonic Smiles
CC(=S)N(C)C
Isomeric Smiles
CN(C)C(=S)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.30693337
LogD (pH = 7.4)
0.30693337
Log P
0.30693337
Molar Refractivity
32.2502
Polarizability
12.690079
Polar Surface Area
3.24
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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