Research chemical
CAS Number: 10002-44-5
Product details
For laboratory research and professional procurement workflows.
PubChem CID
833673
Exact Mass
241.056135
InChIKey
HROHCTACUYNNLZ-UHFFFAOYSA-N
SMILES String
COc1cccc(-c2nc3ccccc3s2)c1
No physical property values available.
XLogP
4.2
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.
2-(3-Methoxyphenyl)-1,3-benzothiazole is identified by CAS 10002-44-5, with molecular formula C14H11NOS, molecular weight 241.31, InChIKey HROHCTACUYNNLZ-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Pyruvate kinase, Luciferin 4-monooxygenase, ATPase family AAA domain-containing protein 5. These records do not establish therapeutic efficacy or clinical use.
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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
17
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
2
Ring count
3
Aromatic rings
3
Topological polar surface area
22.12 Ų
Computed LogP
3.97
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.
Structural features
2-(3-Methoxyphenyl)-1,3-benzothiazole (CAS 10002-44-5) is listed in the Advanced Chemicals portfolio, with molecular formula C14H11NOS and molecular weight 241. 31 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; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Consult the supplier SDS before handling; For research use only.
ChEMBL reports experimental activity evidence for: Pyruvate kinase (Leishmania mexicana) — 3 assays; Luciferin 4-monooxygenase (Photinus pyralis) — 10 assays; ATPase family AAA domain-containing protein 5 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Pyruvate kinase
Leishmania mexicana · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 5
Experimental evidence source: ChEMBL
Luciferin 4-monooxygenase
Photinus pyralis · SINGLE PROTEIN · 10 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
ATPase family AAA domain-containing protein 5
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.