Molecule

ID:85656

General Information
Structure
Molecular Formula
C₄H₆N₂S₂
Molecular Mass
146.23384
Exact Mass
145.9972402
Charge
0
InChI
InChI=1S/C4H6N2S2/c1-7-4(8-2)6-3-5/h1-2H3
InChIKey
IULFXBLVJIPESI-UHFFFAOYSA-N
Canonic Smiles
CSC(=NC#N)SC
Isomeric Smiles
N(=C(SC)SC)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2679527
LogD (pH = 7.4)
2.2679527
Log P
2.2679527
Molar Refractivity
39.5405
Polarizability
14.863323
Polar Surface Area
36.15
Rotatable Bonds
2
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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