Research chemical
CAS Number: 1171515-79-9
![3-[(6-Ethoxy-3,4-dihydrospiro[chromene-2,1'-cyclopentan]-4-yl)thio]propanoic acid molecular structure, CAS 1171515-79-9](/structure-images/1171515-79-9.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
44122457
Exact Mass
336.13953
InChIKey
TWBORUDDGBKBQZ-UHFFFAOYSA-N
IUPAC Name
3-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)sulfanylpropanoic acid
SMILES String
CCOc1ccc2c(c1)C(SCCC(=O)O)CC1(CCCC1)O2
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.
3-[(6-Ethoxy-3,4-dihydrospiro[chromene-2,1'-cyclopentan]-4-yl)thio]propanoic acid is identified by CAS 1171515-79-9, with molecular formula C18H24O4S, molecular weight 336.4, InChIKey TWBORUDDGBKBQZ-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
23
H-bond acceptors
4
H-bond donors
1
Rotatable bonds
6
Ring count
3
Aromatic rings
1
Topological polar surface area
55.76 Ų
Computed LogP
4.43
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
other structure rule
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
3-[(6-Ethoxy-3,4-dihydrospiro[chromene-2,1'-cyclopentan]-4-yl)thio]propanoic acid (CAS 1171515-79-9) is maintained as a cataloged research chemical with formula C18H24O4S, molecular weight 336. 40 g/mol, PubChem CID 44122457.
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 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.