Research chemical
CAS Number: 2913587-28-5
![4-{[Dimethyl(oxo)-lambda6-sulfanylidene]amino}but-2-enoic acid; trifluoroacetic acid molecular structure, CAS 2913587-28-5](/structure-images/2913587-28-5.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
167720006
Exact Mass
291.038828
InChIKey
UXXGITZRKPRGBO-BJILWQEISA-N
IUPAC Name
(E)-4-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]but-2-enoic acid;2,2,2-trifluoroacetic acid
SMILES String
CS(C)(=O)=NC/C=C/C(=O)O.O=C(O)C(F)(F)F
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.
4-{[Dimethyl(oxo)-lambda6-sulfanylidene]amino}but-2-enoic acid; trifluoroacetic acid is identified by CAS 2913587-28-5, with molecular formula C8H12F3NO5S, molecular weight 291.25, InChIKey UXXGITZRKPRGBO-BJILWQEISA-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
18
H-bond acceptors
6
H-bond donors
2
Rotatable bonds
3
Ring count
0
Aromatic rings
0
Topological polar surface area
104.03 Ų
Computed LogP
0.99
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
organic nitrogen ligand candidate
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
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
4-{[Dimethyl(oxo)-lambda6-sulfanylidene]amino}but-2-enoic acid; trifluoroacetic acid (CAS 2913587-28-5) is maintained as a commercial cas reference with formula C8H12F3NO5S, molecular weight 291. 25 g/mol, PubChem CID 167720006.
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 fragment-like structure profile, lead-like structure profile, drug-like rule profile.
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.