CC(C1=CC2=C(C=C1)SC(S2)(C)C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]
Nom: 1-(2,2-dimethyl-1,3-benzodithiol-5-yl)ethyl-triphenylphosphanium bromide
SMILES: CC(C1=CC2=C(C=C1)SC(S2)(C)C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Molecular Processing

Molecular formula
C29H28BrPS2
Molecular weight
551.56
Exact mass
550.0553
XLogP
4.68
TPSA
0
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
33
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.172
Molar refractivity
145.8

Supplementary Information

InChIKey: DIWVGRIVIPHMLO-UHFFFAOYSA-M
Synonymes
SCHEMBL9144430DIWVGRIVIPHMLO-UHFFFAOYSA-M[1-(2,2-dimethyl-1,3-benzodithiol-5-yl) ethyl]triphenylphosphonium bromide[1-(2,2-dimethyl-1,3-benzodithiol-5-yl)ethyl]triphenylphosphonium bromide
Voir la source →
Impliqué dans 19 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→