Molecule
ID:122851
General Information
Molecular Formula
C₃H₈N₂O₂S
Molecular Mass
136.17282
Exact Mass
136.03064851
Charge
0
InChI
InChI=1S/C3H8N2O2S/c6-1-4-3(8)5-2-7/h6-7H,1-2H2,(H2,4,5,8)
InChIKey
ORGWCTHQVYSUNL-UHFFFAOYSA-N
Canonic Smiles
OCNC(=S)NCO
Isomeric Smiles
C(=S)(NCO)NCO
Calculated Properties
JChem
Acid pKa
11.021143
H Acceptors
2
H Donor
4
LogD (pH = 5.5)
-1.1866299
LogD (pH = 7.4)
-1.1867324
Log P
-1.1866143
Molar Refractivity
33.1305
Polarizability
13.2506695
Polar Surface Area
64.52
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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