CCSC(C#N)=C[C@@H]1[C@@H](C(=O)O)C1(C)C
名称: (1R)-trans-3-[(1EZ)-2-cyano-2-(ethylthio)ethenyl]-2,2-dimethylcyclopropanecarboxylic acid
SMILES: CCSC(C#N)=C[C@@H]1[C@@H](C(=O)O)C1(C)C

Molecular Processing

Molecular formula
C11H15NO2S
Molecular weight
225.31
Exact mass
225.0823
XLogP
2.5
TPSA
61.09
H-bond donors
1
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
60.22

Supplementary Information

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