CC(S)C(=O)N1CSCC1C(=O)O
SMILES: CC(S)C(=O)N1CSCC1C(=O)O

Molecular Processing

Molecular formula
C7H11NO3S2
Molecular weight
221.3
Exact mass
221.018
XLogP
0.29
TPSA
57.61
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
54.04

Supplementary Information

Récupération des détails…

Impliqué dans 4 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→