Molecule

ID:65192

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂OS
Molecular Mass
144.23458
Exact Mass
144.060886
Charge
0
InChI
InChI=1S/C7H12OS/c1-7(2)3-6(8)4-9-5-7/h3-5H2,1-2H3
InChIKey
XFNFKMFAIBWJOM-UHFFFAOYSA-N
Canonic Smiles
O=C1CSCC(C1)(C)C
Isomeric Smiles
C1(C)(C)CC(=O)CSC1
Calculated Properties
JChem
Acid pKa
18.763485
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5860531
LogD (pH = 7.4)
1.5860531
Log P
1.5860531
Molar Refractivity
40.4892
Polarizability
16.029112
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
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References
Bioactivity
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