Molecule

ID:73698

General Information
Structure
Molecular Formula
C₄H₅ClN₂S₃
Molecular Mass
212.7439
Exact Mass
211.93033885
Charge
0
InChI
InChI=1S/C4H5ClN2S3/c5-1-2-9-4-7-6-3(8)10-4/h1-2H2,(H,6,8)
InChIKey
WEYBTZMTACRJBQ-UHFFFAOYSA-N
Canonic Smiles
Sc1nnc(s1)SCCCl
Isomeric Smiles
n1c(SCCCl)sc(n1)S
Calculated Properties
JChem
Acid pKa
6.26864
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1774662
LogD (pH = 7.4)
1.258848
Log P
2.2430205
Molar Refractivity
50.651
Polarizability
19.02435
Polar Surface Area
25.78
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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