CN=C(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)SC
이름: N-(3,4-dichlorobenzenesulphonyl)-N', S-dimethylisothiourea
SMILES: CN=C(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)SC

Molecular Processing

Molecular formula
C9H10Cl2N2O2S2
Molecular weight
313.23
Exact mass
311.9561
XLogP
2.62
TPSA
58.53
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
73.66

Supplementary Information

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