Molecule

ID:104698

General Information
Structure
MolImage
Molecular Formula
C₃H₇NS
Molecular Mass
89.15938
Exact Mass
89.02992023
Charge
0
InChI
InChI=1S/C3H7NS/c1-2-5-3-4-1/h4H,1-3H2
InChIKey
OGYGFUAIIOPWQD-UHFFFAOYSA-N
Canonic Smiles
C1NCCS1
Isomeric Smiles
C1CSCN1
Calculated Properties
JChem
LogD (pH = 7.4)
0.00
LogD (pH = 5.5)
-1.11
Log P
0.07
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
6.65
Polar Surface Area
12.03
Polarizability
9.49
Molar Refractivity
24.99
LOG S
-0.29
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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