Molecule

ID:65333

General Information
Structure
MolImage
Molecular Formula
C₅H₉NOS
Molecular Mass
131.19606
Exact Mass
131.04048491
Charge
0
InChI
InChI=1S/C5H9NOS/c7-6-5-1-3-8-4-2-5/h7H,1-4H2
InChIKey
XWSBAVVPGULZOY-UHFFFAOYSA-N
Canonic Smiles
ON=C1CCSCC1
Isomeric Smiles
C1C(=NO)CCSC1
Calculated Properties
JChem
Acid pKa
11.3539915
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0082661
LogD (pH = 7.4)
1.008416
Log P
1.0084667
Molar Refractivity
35.2872
Polarizability
13.700672
Polar Surface Area
32.59
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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