Nom: 3-(5-tetrazolyl)thianthrene-5,5-dioxide
SMILES:
O=S1(=O)c2ccccc2Sc2ccc(-c3nnn[nH]3)cc21Molecular Processing
Molecular formula
C13H8N4O2S2
Molecular weight
316.37
Exact mass
316.0089
XLogP
2.16
TPSA
88.6
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
21
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0
Molar refractivity
75.63
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→