Molecule

ID:78346

General Information
Structure
MolImage
Molecular Formula
C₄H₅NS₂
Molecular Mass
131.2192
Exact Mass
130.98634117
Charge
0
InChI
InChI=1S/C4H5NS2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)
InChIKey
NLHAIPFBNQZTMY-UHFFFAOYSA-N
Canonic Smiles
Cc1csc(n1)S
Isomeric Smiles
n1c(scc1C)S
Calculated Properties
JChem
Acid pKa
7.1930737
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5324132
LogD (pH = 7.4)
1.1496116
Log P
1.5408659
Molar Refractivity
33.341
Polarizability
12.949239
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation