Molecule

ID:41956

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂S
Molecular Mass
140.20612
Exact Mass
140.04081927
Charge
0
InChI
InChI=1S/C6H8N2S/c1-5-3-4-7-6(8-5)9-2/h3-4H,1-2H3
InChIKey
UCERVHYBSTYCQS-UHFFFAOYSA-N
Canonic Smiles
CSc1nccc(n1)C
Isomeric Smiles
c1(nc(ccn1)C)SC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4873282
LogD (pH = 7.4)
1.488099
Log P
1.4881088
Molar Refractivity
40.0187
Polarizability
15.217082
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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