Molecule

ID:1458

General Information
Structure
MolImage
Molecular Formula
C₃H₈O₃S
Molecular Mass
124.15882
Exact Mass
124.01941512
Charge
0
InChI
InChI=1S/C3H8O3S/c4-1-3(5)2-7-6/h3-6H,1-2H2/t3-/m1/s1
InChIKey
DLQCXFUWHQZWJQ-GSVOUGTGSA-N
Canonic Smiles
OSC[C@@H](CO)O
Isomeric Smiles
OC[C@@H](O)CSO
Calculated Properties
JChem
Acid pKa
13.62712
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.123436
LogD (pH = 7.4)
-1.1234363
Log P
-1.123436
Molar Refractivity
28.4756
Polarizability
11.308845
Polar Surface Area
60.69
Rotatable Bonds
3
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-1.77
LOG S
0.69
Solubility (Water)
6.07e+02 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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