Research chemical
4-(2-Thienylmethyl)benzoic acid
CAS Number: 1002727-90-3
Product details
Identity & specification
- Molecular formula
- C12H10O2S
- Molecular weight
- 218.27 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
20038987
Exact Mass
218.040151
InChIKey
OAIBKSRZDOMJKZ-UHFFFAOYSA-N
IUPAC Name
4-(thiophen-2-ylmethyl)benzoic acid
SMILES String
O=C(O)c1ccc(Cc2cccs2)cc1
Physical Properties
No physical property values available.
Show more physical data
XLogP
3.1
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
15
H-bond acceptors
2
H-bond donors
1
Rotatable bonds
3
Ring count
2
Aromatic rings
2
Topological polar surface area
37.3 Ų
Computed LogP
3.04
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
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.
Catalog Facts
Structural features
4-(2-Thienylmethyl)benzoic acid (CAS 1002727-90-3) is listed in the Advanced Chemicals portfolio, with molecular formula C12H10O2S and molecular weight 218. 27 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows.
Documentation needs
Consult the supplier SDS before handling; 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.
Catalog 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 4-(2-Thienylmethyl)benzoic acid (CAS 1002727-90-3)?
4-(2-Thienylmethyl)benzoic acid is identified by CAS 1002727-90-3, with molecular formula C12H10O2S, molecular weight 218.27, InChIKey OAIBKSRZDOMJKZ-UHFFFAOYSA-N.
Can I request a COA for CAS 1002727-90-3?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for 4-(2-Thienylmethyl)benzoic acid?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1002727-90-3 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.