이름: (isocyanatomethyl)(methyl)sulfane
SMILES:
CSCN=C=OMolecular Processing
Molecular formula
C3H5NOS
Molecular weight
103.15
Exact mass
103.0092
XLogP
0.64
TPSA
29.43
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
6
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
26.5
Supplementary Information
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