Molecule
ID:85206
General Information
Molecular Formula
C₄H₆N₂S₃
Molecular Mass
178.29884
Exact Mass
177.9693112
Charge
0
InChI
InChI=1S/C4H6N2S3/c1-7-3-5-6-4(8-2)9-3/h1-2H3
InChIKey
IUVACELPFXBLHY-UHFFFAOYSA-N
Canonic Smiles
CSc1nnc(s1)SC
Isomeric Smiles
s1c(nnc1SC)SC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3732262
LogD (pH = 7.4)
2.3732262
Log P
2.3732262
Molar Refractivity
45.8536
Polarizability
17.12882
Polar Surface Area
25.78
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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