Molecule

ID:8370

General Information
Structure
MolImage
Molecular Formula
C₄H₅NS
Molecular Mass
99.1542
Exact Mass
99.01427017
Charge
0
InChI
InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3
InChIKey
QMHIMXFNBOYPND-UHFFFAOYSA-N
Canonic Smiles
Cc1cscn1
Isomeric Smiles
c1(ncsc1)C
Calculated Properties
JChem
LogD (pH = 7.4)
0.76
LogD (pH = 5.5)
0.76
Log P
0.76
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
2.74
Polar Surface Area
12.89
Polarizability
10.10
Molar Refractivity
25.86
LOG S
-0.58
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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