Research chemical
CAS Number: 1113-02-6
Product details
For laboratory research and professional procurement workflows.
PubChem CID
14210
Exact Mass
213.022466
InChIKey
PZXOQEXFMJCDPG-UHFFFAOYSA-N
IUPAC Name
2-dimethoxyphosphorylsulfanyl-N-methylacetamide
SMILES String
CNC(=O)CSP(=O)(OC)OC
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.
Omethoate is identified by CAS 1113-02-6, with molecular formula C5H12NO4PS, molecular weight 213.19, InChIKey PZXOQEXFMJCDPG-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Acetylcholinesterase. These records do not establish therapeutic efficacy or clinical use.
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
12
H-bond acceptors
5
H-bond donors
1
Rotatable bonds
5
Ring count
0
Aromatic rings
0
Topological polar surface area
64.63 Ų
Computed LogP
0.87
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
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
Omethoate (CAS 1113-02-6) is maintained as a commercial cas reference with formula C5H12NO4PS, molecular weight 213. 19 g/mol, PubChem CID 14210.
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, fragment-like structure profile, lead-like structure profile, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
ChEMBL reports experimental activity evidence for: Acetylcholinesterase (Schizaphis graminum) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Acetylcholinesterase
Schizaphis graminum · SINGLE PROTEIN · 3 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.