Research chemical
CAS Number: 14516-71-3
![(butylamine)[[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel molecular structure, CAS 14516-71-3](/structure-images/14516-71-3.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
84486
Exact Mass
571.299393
InChIKey
DPLLDVMBMPQDCO-UHFFFAOYSA-L
IUPAC Name
butan-1-amine;nickel(2+);2-[2-oxido-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-4-(2,4,4-trimethylpentan-2-yl)phenolate
SMILES String
CCCCN.CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)[O-])SC2=C(C=CC(=C2)C(C)(C)CC(C)(C)C)[O-].[Ni+2]
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
(butylamine)[[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel is identified by CAS 14516-71-3, with molecular formula C32H51NNiO2S, molecular weight 572.5, InChIKey DPLLDVMBMPQDCO-UHFFFAOYSA-L.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
37
H-bond acceptors
3
H-bond donors
2
Rotatable bonds
8
Ring count
2
Aromatic rings
2
Topological polar surface area
72.14 Ų
Computed LogP
8.16
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
transition metal catalyst or complex
Precious metal motif
No
Transition metal motif
Yes
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
(butylamine)[[2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O',S]nickel (CAS 14516-71-3) is maintained as a commercial cas reference with formula C32H51NNiO2S, molecular weight 572. 50 g/mol, PubChem CID 84486.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, transition-metal-containing structure.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.