Name: 3,4-Dimethoxy-1-benzenecarbonyl isothiocyanate
SMILES:
COc1ccc(C(=O)N=C=S)cc1OCMolecular Processing
Molecular formula
C10H9NO3S
Molecular weight
223.25
Exact mass
223.0303
XLogP
1.95
TPSA
47.89
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
58.9
Supplementary Information
Details werden geladen…
An 4 Reaktionen beteiligt→