Research chemical
CAS Number: 1091555-35-9
![4-(5-((1,1-Dioxidobenzo[b]thiophen-3-yl)thio)-1H-tetrazol-1-yl)benzoic acid molecular structure, CAS 1091555-35-9](/structure-images/1091555-35-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
45032907
Exact Mass
386.014347
InChIKey
GNIXBCJHUYMUPB-UHFFFAOYSA-N
IUPAC Name
4-[5-[(1,1-dioxo-1-benzothiophen-3-yl)sulfanyl]tetrazol-1-yl]benzoic acid
SMILES String
O=C(O)c1ccc(-n2nnnc2SC2=CS(=O)(=O)c3ccccc32)cc1
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.
4-(5-((1,1-Dioxidobenzo[b]thiophen-3-yl)thio)-1H-tetrazol-1-yl)benzoic acid is identified by CAS 1091555-35-9, with molecular formula C16H10N4O4S2, molecular weight 386.4, InChIKey GNIXBCJHUYMUPB-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Histone acetyltransferase RTT109. 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.
Heavy atom count
26
H-bond acceptors
8
H-bond donors
1
Rotatable bonds
4
Ring count
4
Aromatic rings
3
Topological polar surface area
115.04 Ų
Computed LogP
2.24
Fragment-like structure rule
No
Lead-like structure rule
No
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
4-(5-((1,1-Dioxidobenzo[b]thiophen-3-yl)thio)-1H-tetrazol-1-yl)benzoic acid (CAS 1091555-35-9) is maintained as a cataloged research chemical with formula C16H10N4O4S2, molecular weight 386. 40 g/mol, PubChem CID 45032907.
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, drug-like rule profile.
Documentation needs
SDS signal word: Danger; hazard codes: H315, H319, H228; for research use only.
ChEMBL reports experimental activity evidence for: Histone acetyltransferase RTT109 (Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Histone acetyltransferase RTT109
Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 5.06
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.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestSubmit the CAS number, quantity, purity requirement, and destination country for sourcing review.