Research chemical
CAS Number: 1005046-30-9
![O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate molecular structure, CAS 1005046-30-9](/structure-images/1005046-30-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
5142898
Exact Mass
528.376604
InChIKey
TWFZQYUQVTYADM-UHFFFAOYSA-N
IUPAC Name
tris[(5-methyl-2-propan-2-ylcyclohexyl)oxy]-sulfanylidene-lambda5-phosphane
SMILES String
CC1CCC(C(C)C)C(OP(=S)(OC2CC(C)CCC2C(C)C)OC2CC(C)CCC2C(C)C)C1
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.
O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate is identified by CAS 1005046-30-9, with molecular formula C30H57O3PS, molecular weight 528.8, InChIKey TWFZQYUQVTYADM-UHFFFAOYSA-N.
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.
XLogP
11.7
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
35
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
9
Ring count
3
Aromatic rings
0
Topological polar surface area
27.69 Ų
Computed LogP
9.64
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
phosphine ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
Yes
N-heterocycle motif
No
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
O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate (CAS 1005046-30-9) is an English MolGraph catalog reference, molecular formula C30H57O3PS and molecular weight 528. 80 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for catalysis and ligand research, research chemical sourcing.
Documentation needs
Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.