Research chemical
CAS Number: 110766-80-8
![2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione molecular structure, CAS 110766-80-8](/structure-images/110766-80-8.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2728651
Exact Mass
209.033292
InChIKey
GQCBKKJNNAUWNC-UHFFFAOYSA-N
IUPAC Name
2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione
SMILES String
CC1CC(=S)Nc2ccccc2S1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
2-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione is identified by CAS 110766-80-8, with molecular formula C10H11NS2, molecular weight 209.3, InChIKey GQCBKKJNNAUWNC-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Nuclear receptor ROR-gamma. 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
13
H-bond acceptors
1
H-bond donors
1
Rotatable bonds
0
Ring count
2
Aromatic rings
1
Topological polar surface area
12.03 Ų
Computed LogP
3.31
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-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepine-4-thione (CAS 110766-80-8) is maintained as a commercial cas reference with formula C10H11NS2, molecular weight 209. 30 g/mol, PubChem CID 2728651.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; 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; for research use only.
ChEMBL reports experimental activity evidence for: Nuclear receptor ROR-gamma (Mus musculus) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Nuclear receptor ROR-gamma
Mus musculus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.4
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.