Molecule

ID:80942

General Information
Structure
Molecular Formula
C₆H₁₀N₄S₂
Molecular Mass
202.3004
Exact Mass
202.03468834
Charge
0
InChI
InChI=1S/C6H10N4S2/c1-3-7-5(11)10-4(2)8-6(12)9(3)10/h3-4H,1-2H3,(H,7,11)(H,8,12)
InChIKey
STHDAFBSDYQXQG-UHFFFAOYSA-N
Canonic Smiles
CC1N=C(N2N1C(=NC2C)S)S
Isomeric Smiles
N12N(C(=NC1C)S)C(C)N=C2S
Calculated Properties
JChem
Acid pKa
6.54294
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.5748323
LogD (pH = 7.4)
0.5489452
Log P
1.6103302
Molar Refractivity
52.935
Polarizability
20.254946
Polar Surface Area
31.2
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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