Research chemical
CAS Number: 631-45-8
Product details
For laboratory research and professional procurement workflows.
PubChem CID
69429
Exact Mass
384.094903
InChIKey
RJDVGKCBHFINOK-UHFFFAOYSA-N
IUPAC Name
tris(2-methylphenoxy)-sulfanylidene-lambda5-phosphane
SMILES String
CC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2C)OC3=CC=CC=C3C
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Tri-o-cresyl phosphorothioate is identified by CAS 631-45-8, with molecular formula C21H21O3PS, molecular weight 384.4, InChIKey RJDVGKCBHFINOK-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
26
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
6
Ring count
3
Aromatic rings
3
Topological polar surface area
27.69 Ų
Computed LogP
6.37
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
Tri-o-cresyl phosphorothioate (CAS 631-45-8) is maintained as a commercial cas reference with formula C21H21O3PS, molecular weight 384. 40 g/mol, PubChem CID 69429.
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 phosphine-ligand motif.
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.