Molecule
ID:58388
General Information
Molecular Formula
C₄H₈N₂S₂
Molecular Mass
148.24972
Exact Mass
148.01289027
Charge
0
InChI
InChI=1S/C4H8N2S2/c1-5-3(7)4(8)6-2/h1-2H3,(H,5,7)(H,6,8)
InChIKey
MQLIZYQZJMPNFI-UHFFFAOYSA-N
Canonic Smiles
CNC(=S)C(=S)NC
Isomeric Smiles
C(=S)(C(=S)NC)NC
Calculated Properties
JChem
Acid pKa
-5.1608763
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
-2.44682
LogD (pH = 7.4)
-2.4468732
Log P
0.3494545
Molar Refractivity
43.8582
Polarizability
17.269453
Polar Surface Area
24.06
Rotatable Bonds
1
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
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Related Proteins
No Data Available
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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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