Molecule

ID:9991

General Information
Structure
MolImage
Molecular Formula
C₃H₉NS
Molecular Mass
91.17526
Exact Mass
91.04557029
Charge
0
InChI
InChI=1S/C3H9NS/c1-5-3-2-4/h2-4H2,1H3
InChIKey
CYWGSFFHHMQKET-UHFFFAOYSA-N
Canonic Smiles
CSCCN
Isomeric Smiles
S(CCN)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.8388257
LogD (pH = 7.4)
-2.0776885
Log P
0.16691028
Molar Refractivity
27.0447
Polarizability
10.847992
Polar Surface Area
26.02
Rotatable Bonds
2
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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