Molecule

ID:40163

General Information
Structure
MolImage
Molecular Formula
C₄H₇NS₂
Molecular Mass
133.23508
Exact Mass
133.00199123
Charge
0
InChI
InChI=1S/C4H7NS2/c6-4-5-2-1-3-7-4/h1-3H2,(H,5,6)
InChIKey
DDDWOMIVMIHAEN-UHFFFAOYSA-N
Canonic Smiles
S=C1NCCCS1
Isomeric Smiles
C1(=S)NCCCS1
Calculated Properties
JChem
Acid pKa
7.556632
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
1.2384739
LogD (pH = 7.4)
1.0453242
Log P
1.2418348
Molar Refractivity
38.2184
Polarizability
15.036286
Polar Surface Area
12.03
Rotatable Bonds
0
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
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