Research chemical
2-(3-Methoxyphenyl)-1,3-benzothiazole
CAS Number: 10002-44-5
Product details
Identity & specification
- Molecular formula
- C14H11NOS
- Molecular weight
- 241.31 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
833673
Exact Mass
241.056135
InChIKey
HROHCTACUYNNLZ-UHFFFAOYSA-N
SMILES String
COc1cccc(-c2nc3ccccc3s2)c1
Physical Properties
No physical property values available.
Show more physical data
XLogP
4.2
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
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.
Catalog Facts
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.
Applications & Classification
Biological target reference
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 & 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 2-(3-Methoxyphenyl)-1,3-benzothiazole (CAS 10002-44-5)?
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.
Does CAS 10002-44-5 have reported biological target evidence?
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.
Can I request a COA for CAS 10002-44-5?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for 2-(3-Methoxyphenyl)-1,3-benzothiazole?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 10002-44-5 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.