Name: 3-methylisothiazole
SMILES:
Cc1ccsn1Molecular Processing
Molecular formula
C4H5NS
Molecular weight
99.16
Exact mass
99.0143
XLogP
1.45
TPSA
12.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
6
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
26.85
Supplementary Information
Details werden geladen…
An 16 Reaktionen beteiligt→