Molecule

ID:8747

General Information
Structure
Molecular Formula
C₅H₄O₂S
Molecular Mass
128.14906
Exact Mass
127.99320037
Charge
0
InChI
InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)
InChIKey
YNVOMSDITJMNET-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cscc1
Isomeric Smiles
c1c(csc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5569324
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.52560747
LogD (pH = 7.4)
-1.9463177
Log P
1.4112706
Molar Refractivity
30.42
Polarizability
11.415171
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
References
Bioactivity
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