Molecule

ID:64378

General Information
Structure
MolImage
Molecular Formula
C₄H₉NS
Molecular Mass
103.18596
Exact Mass
103.04557029
Charge
0
InChI
InChI=1S/C4H9NS/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)
InChIKey
NPCLRBQYESMUPD-UHFFFAOYSA-N
Canonic Smiles
CC(C(=S)N)C
Isomeric Smiles
C(=S)(N)C(C)C
Calculated Properties
JChem
Acid pKa
12.804767
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
1.103079
LogD (pH = 7.4)
1.1030805
Log P
1.1031034
Molar Refractivity
31.6582
Polarizability
12.689864
Polar Surface Area
26.02
Rotatable Bonds
1
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
References
Bioactivity
Navigation