CC(=O)SC1CN(C1)C2=NC(=CS2)C#N
Name: S-[1-(4-cyano-1,3-thiazol-2-yl)azetidin-3-yl] ethanethioate
SMILES: CC(=O)SC1CN(C1)C2=NC(=CS2)C#N

Molecular Processing

Molecular formula
C9H9N3OS2
Molecular weight
239.32
Exact mass
239.0187
XLogP
1.48
TPSA
56.99
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
61.1

Supplementary Information

InChIKey: AFPNCHHOJYHEPW-UHFFFAOYSA-N
Synonyme
SCHEMBL5724368AFPNCHHOJYHEPW-UHFFFAOYSA-N3-acetylthio-1-(4-cyano-1,3-thiazol-2-yl)azetidine
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