Molecule

ID:59246

General Information
Structure
MolImage
Molecular Formula
C₄H₇NS
Molecular Mass
101.17008
Exact Mass
101.02992023
Charge
0
InChI
InChI=1S/C4H7NS/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)
InChIKey
IIPJWNFOLPDTEQ-UHFFFAOYSA-N
Canonic Smiles
NC(=S)C1CC1
Isomeric Smiles
C1(C(=S)N)CC1
Calculated Properties
JChem
Acid pKa
12.748264
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
0.6393498
LogD (pH = 7.4)
0.6393515
Log P
0.6393775
Molar Refractivity
29.856
Polarizability
11.949069
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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