Research chemical
CAS Number: 1531-79-9
![Ethyl 2-[(phenylsulfanyl)methyl]benzoate molecular structure, CAS 1531-79-9](/structure-images/1531-79-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
86174219
Exact Mass
272.087101
InChIKey
PHMZKSHYPLLMSX-UHFFFAOYSA-N
IUPAC Name
ethyl 2-(phenylsulfanylmethyl)benzoate
SMILES String
CCOC(=O)c1ccccc1CSc1ccccc1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Ethyl 2-[(phenylsulfanyl)methyl]benzoate is identified by CAS 1531-79-9, with molecular formula C16H16O2S, molecular weight 272.4, InChIKey PHMZKSHYPLLMSX-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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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
19
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
5
Ring count
2
Aromatic rings
2
Topological polar surface area
26.3 Ų
Computed LogP
4.16
Fragment-like structure rule
Yes
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
Ethyl 2-[(phenylsulfanyl)methyl]benzoate (CAS 1531-79-9) is maintained as a commercial cas reference with formula C16H16O2S, molecular weight 272. 40 g/mol, PubChem CID 86174219.
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, 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.