Molecule

ID:40949

General Information
Structure
Molecular Formula
C₇H₈O₂S
Molecular Mass
156.20222
Exact Mass
156.0245005
Charge
0
InChI
InChI=1S/C7H8O2S/c1-10(9)7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChIKey
VMTHIQRJDDCEQD-UHFFFAOYSA-N
Canonic Smiles
CS(=O)c1ccccc1O
Isomeric Smiles
c1(S(=O)C)c(O)cccc1
Calculated Properties
JChem
Acid pKa
7.2818003
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0460268
LogD (pH = 7.4)
0.6929624
Log P
1.0530951
Molar Refractivity
42.4005
Polarizability
16.373907
Polar Surface Area
37.3
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
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References
Bioactivity
Navigation
CAS 1074-02-8|2-(Methylsulfinyl)benzenol|2-methanesulfinylphenol|2-methanesulfinylphenol|2-Hydroxyphenyl methyl sulphoxide 98%|2-(Methylsulphinyl)phenol|2-(Methylsulfinyl)phenol | Molfinder