CC(C1=CN=C(C=C1)C(Cl)(Cl)Cl)SC
Nom: 5-(1-methylsulfanylethyl)-2-(trichloromethyl)pyridine
SMILES: CC(C1=CN=C(C=C1)C(Cl)(Cl)Cl)SC

Molecular Processing

Molecular formula
C9H10Cl3NS
Molecular weight
270.61
Exact mass
268.96
XLogP
4.33
TPSA
12.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
65.4

Supplementary Information

InChIKey: XDXFXDNITMXZGJ-UHFFFAOYSA-N
Synonymes
SCHEMBL1958707XDXFXDNITMXZGJ-UHFFFAOYSA-N5-[1-(methylthio)ethyl]-2-(trichloromethyl)pyridine
Voir la source →
Impliqué dans 28 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→