Molecule

ID:129202

General Information
Structure
Molecular Formula
C₅H₉NS₂
Molecular Mass
147.26166
Exact Mass
147.01764129
Charge
0
InChI
InChI=1S/C5H9NS2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)
InChIKey
VSWDORGPIHIGNW-UHFFFAOYSA-N
Canonic Smiles
SC(=S)N1CCCC1
Isomeric Smiles
S=C(S)N1CCCC1
Calculated Properties
JChem
LogD (pH = 7.4)
0.56
LogD (pH = 5.5)
0.56
Log P
1.70
Rotatable Bonds
0
H Donor
1
H Acceptors
0
Lipinski's Rule of Five
true
Acid pKa
2.00
Polar Surface Area
3.24
Polarizability
15.62
Molar Refractivity
43.06
LOG S
-2.17
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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