이름: 4-ethylsulfanyl-3-methoxy-3-methyl-but-1-yne
SMILES:
C#CC(C)(CSCC)OCMolecular Processing
Molecular formula
C8H14OS
Molecular weight
158.27
Exact mass
158.0765
XLogP
1.78
TPSA
9.23
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
47.25
Supplementary Information
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