Research chemical
Thiabendazole
CAS Number: 1091606-65-3
Product details
Identity & specification
- Molecular formula
- C10H7N3S
- Molecular weight
- 201.25 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
5430
Exact Mass
201.036068
InChIKey
WJCNZQLZVWNLKY-UHFFFAOYSA-N
IUPAC Name
4-(1H-benzimidazol-2-yl)-1,3-thiazole
SMILES String
C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3
Physical Properties
No physical property values available.
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
14
H-bond acceptors
3
H-bond donors
1
Rotatable bonds
1
Ring count
3
Aromatic rings
3
Topological polar surface area
41.57 Ų
Computed LogP
2.69
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
Thiabendazole (CAS 1091606-65-3) is maintained as a cataloged research chemical with formula C10H7N3S, molecular weight 201. 25 g/mol, PubChem CID 5430.
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 nitrogen-containing heterocycle, fragment-like structure profile, lead-like structure profile, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; hazard codes: H302; for research use only.
Applications & Classification
Biological target reference
ChEMBL reports experimental activity evidence for: Cytochrome P450 1A2 (Homo sapiens) — 2 assays; Protein deacetylase HDAC6 (Homo sapiens) — 4 assays; Hypoxia-inducible factor 1-alpha (Homo sapiens) — 2 assays; Methionine aminopeptidase 1 (Homo sapiens) — 4 assays; Cytochrome P450 2C19 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Cytochrome P450 1A2
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 6.9
Experimental evidence source: ChEMBL
Protein deacetylase HDAC6
Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 1 documents · best pChEMBL 6.44
Experimental evidence source: ChEMBL
Hypoxia-inducible factor 1-alpha
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.6
Experimental evidence source: ChEMBL
Methionine aminopeptidase 1
Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 2 documents · best pChEMBL 5.47
Experimental evidence source: ChEMBL
Cytochrome P450 2C19
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.1
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.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestCatalog 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 Thiabendazole (CAS 1091606-65-3)?
Thiabendazole is identified by CAS 1091606-65-3, with molecular formula C10H7N3S, molecular weight 201.25, InChIKey WJCNZQLZVWNLKY-UHFFFAOYSA-N.
Does CAS 1091606-65-3 have reported biological target evidence?
ChEMBL contains qualifying experimental assay evidence associated with Cytochrome P450 1A2, Protein deacetylase HDAC6, Hypoxia-inducible factor 1-alpha, Methionine aminopeptidase 1, Cytochrome P450 2C19. These records do not establish therapeutic efficacy or clinical use.
Can I request a COA for CAS 1091606-65-3?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Thiabendazole?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1091606-65-3 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.