Tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene][(phenylthio)methylene]ruthenium(II) dichloride

Catalog Number	ACM1155422697-1
CAS	1155422-69-7
Structure
Synonyms	[1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro[(phenylthio)methylene](tricyclohexylphosphine)ruthenium
IUPAC Name	[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-(phenylsulfanylmethylidene)ruthenium;tricyclohexylphosphane;
Molecular Weight	881.04
Molecular Formula	C46H65Cl2N2PRuS
Canonical SMILES	CC1=CC(=C(C(=C1)C)N2CCN(C2=[Ru](=CSC3=CC=CC=C3)(Cl)Cl)C4=C(C=C(C=C4C)C)C)C.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3
InChI	InChI=1S/C21H26N2.C18H33P.C7H6S.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8-7-5-3-2-4-6-7;/h9-12H,7-8H2,1-6H3;16-18H,1-15H2;1-6H;2*1H;/q;+2/p-2
InChI Key	GZISWHUECPWWTK-UHFFFAOYSA-L
Appearance	Purple brown solid
Application	Metathesis catalyst, stable in air and can be used in aqueous media. Catalyst of choice for the ring-opening metathesis polymerization of cycloolefins. Catalyst concentration 2-3 times lower than comparable phenyl and vinyl substituted ruthenium carbenes. Excellent initiator for solvent-free polymerization and control of initiation rates and gelation times. Highly selective catalyst for the ring opening/cross-metathesis of norbornene derivatives.
Complexity	949
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	880.302654
Heavy Atom Count	53
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Monoisotopic Mass	880.302654
Rotatable Bond Count	7
Topological Polar Surface Area	31.8 Ų