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11-Ferrocenyl-1-undecanethiol

Catalog Number
ACM127087369
Product Name
11-Ferrocenyl-1-undecanethiol
Structure
CAS
127087-36-9
Category
Self-Assembly Materials
Synonyms
11-Ferrocenyl-1-Undecanethiol;11-(Ferrocenyl)undecanethiol;11-(Mercaptoundecyl)ferrocene
IUPAC Name
cyclopenta-1,3-diene;11-cyclopenta-1,4-dien-1-ylundecane-1-thiol;iron(2+)
Molecular Weight
372.4g/mol
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
Complexity
161
Covalently-Bonded Unit Count
3
Exact Mass
372.157408g/mol
Formal Charge
0
Hazard Statements
Xi
Heavy Atom Count
23
Monoisotopic Mass
372.157408g/mol
Rotatable Bond Count
11
Safety Description
36
Supplemental Hazard Statements
H315-H319-H335
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