Molecule

ID:85380

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂S
Molecular Mass
130.2113
Exact Mass
130.05646933
Charge
0
InChI
InChI=1S/C5H10N2S/c6-5(8)7-3-4-1-2-4/h4H,1-3H2,(H3,6,7,8)
InChIKey
BHJTYNJTDMRWOT-UHFFFAOYSA-N
Canonic Smiles
NC(=S)NCC1CC1
Isomeric Smiles
S=C(NCC1CC1)N
Calculated Properties
JChem
Acid pKa
13.184808
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
0.5302881
LogD (pH = 7.4)
0.53028744
Log P
0.53028905
Molar Refractivity
37.9722
Polarizability
14.920584
Polar Surface Area
38.05
Rotatable Bonds
2
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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