Research chemical
Ethyl 3-amino-5-formyl-1-benzothiophene-2-carboxylate
CAS Number: 1098608-18-4
Product details
Identity & specification
- Molecular formula
- C12H11NO3S
- Molecular weight
- 249.29 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
53396434
Exact Mass
249.045964
InChIKey
HVEYBGLQTFAKTN-UHFFFAOYSA-N
SMILES String
CCOC(=O)c1sc2ccc(C=O)cc2c1N
Physical Properties
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
17
H-bond acceptors
4
H-bond donors
2
Rotatable bonds
3
Ring count
2
Aromatic rings
2
Topological polar surface area
69.39 Ų
Computed LogP
2.47
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
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.
Catalog Facts
Structural features
Ethyl 3-amino-5-formyl-1-benzothiophene-2-carboxylate (CAS 1098608-18-4) is maintained as a cataloged research chemical with formula C12H11NO3S, molecular weight 249. 29 g/mol, PubChem CID 53396434.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, fragment-like structure profile, lead-like structure profile, drug-like rule profile.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; for research use only.
Applications & Classification
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestCatalog navigation
Related Catalog Entries
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement questions
What are the key identifiers for Ethyl 3-amino-5-formyl-1-benzothiophene-2-carboxylate (CAS 1098608-18-4)?
Ethyl 3-amino-5-formyl-1-benzothiophene-2-carboxylate is identified by CAS 1098608-18-4, with molecular formula C12H11NO3S, molecular weight 249.29, InChIKey HVEYBGLQTFAKTN-UHFFFAOYSA-N.
Can I request a COA for CAS 1098608-18-4?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Ethyl 3-amino-5-formyl-1-benzothiophene-2-carboxylate?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1098608-18-4 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.