Molecule

ID:64003

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NS
Molecular Mass
117.21254
Exact Mass
117.06122036
Charge
0
InChI
InChI=1S/C5H11NS/c1-5(2-6)3-7-4-5/h2-4,6H2,1H3
InChIKey
ACIIRSPQXCPSAH-UHFFFAOYSA-N
Canonic Smiles
NCC1(C)CSC1
Isomeric Smiles
C1(CSC1)(C)CN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.5248442
LogD (pH = 7.4)
-1.8733437
Log P
0.48848057
Molar Refractivity
34.078
Polarizability
13.803699
Polar Surface Area
26.02
Rotatable Bonds
1
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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