Molecule

ID:112098

General Information
Structure
MolImage
Molecular Formula
C₄H₆OS
Molecular Mass
102.15484
Exact Mass
102.01393581
Charge
0
InChI
InChI=1S/C4H6OS/c5-4-2-1-3-6-4/h1-3H2
InChIKey
KMSNYNIWEORQDJ-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCS1
Isomeric Smiles
O=C1CCCS1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.8004028
LogD (pH = 7.4)
0.8004028
Log P
0.8004028
Molar Refractivity
26.653
Polarizability
10.551304
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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