Iron(2+) cyclopenta-2,4-dien-1-ide 1-(11-sulfanylundecyl)cyclopenta-2,4-dien-1-ide (1/1/1)

Catalog Number	ACM127087369-1
CAS	127087-36-9
Structure
Synonyms	Cyclopenta-1,3-diene;11-cyclopenta-1,4-dien-1-ylundecane-1-thiol;iron(2+)
Molecular Weight	372.4
Molecular Formula	C21H32FeS
Canonical SMILES	[CH-]1C=CC=C1.[CH-]1C=CC(=C1)CCCCCCCCCCCS.[Fe+2]
InChI	InChI=1S/C16H27S.C5H5.Fe/c17-15-11-7-5-3-1-2-4-6-8-12-16-13-9-10-14-16;1-2-4-5-3-1;/h9-10,13-14,17H,1-8,11-12,15H2;1-5H;/q2*-1;+2
InChI Key	JKOWKXHCMQEEQQ-UHFFFAOYSA-N
Melting Point	36-41 °C
Purity	98%
Appearance	Solid
Complexity	161
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Exact Mass	372.157408
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Monoisotopic Mass	372.157408
Rotatable Bond Count	11
Topological Polar Surface Area	1 Ų