CCSC(C#N)=C[C@@H]1[C@@H](C(=O)Cl)C1(C)C
SMILES: CCSC(C#N)=C[C@@H]1[C@@H](C(=O)Cl)C1(C)C

Molecular Processing

Molecular formula
C11H14ClNOS
Molecular weight
243.76
Exact mass
243.0485
XLogP
3.18
TPSA
40.86
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
63.45

Supplementary Information

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