Tricyclohexylphosphine[2,4-dihydro-2,4,5-triphenyl-3H-1,2,4-triazol-3-ylidene][2-thienylmethylene]ruthenium(II) dichloride

Catalog Number	ACM1190427510-1
CAS	1190427-51-0
Structure
Synonyms	Dichloro-(thiophen-2-ylmethylidene)-(2,4,5-triphenyl-1,2,4-triazol-3-ylidene)ruthenium;tricyclohexylphosphane
Molecular Weight	845.9
Molecular Formula	C43H52Cl2N3PRuS
Canonical SMILES	C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1=CC=C(C=C1)C2=NN(C(=[Ru](=CC3=CC=CS3)(Cl)Cl)N2C4=CC=CC=C4)C5=CC=CC=C5
InChI	InChI=1S/C20H15N3.C18H33P.C5H4S.2ClH.Ru/c1-4-10-17(11-5-1)20-21-23(19-14-8-3-9-15-19)16-22(20)18-12-6-2-7-13-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-3-2-4-6-5;/h1-15H;16-18H,1-15H2;1-4H;2*1H;/q;+2/p-2
InChI Key	VMWZLDSTBDDABJ-UHFFFAOYSA-L
Purity	95%
Appearance	Powder
Exact Mass	845.204003
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Monoisotopic Mass	845.204003
Rotatable Bond Count	7
Topological Polar Surface Area	47.1 Ų