Dibenzo[b,f][1,4]thiazepine-11-[10H]one - ≥98%(HPLC) , CAS No.3159-07-7

CAS: 3159-07-7 Cat. No.: D134111 Molecular Weight: 227.28 EC Number: 608-646-0
AVAILABLE TO ORDER
GRADE & PURITY ≥98%(HPLC)
Synonyms
1-(2,3-Dimethyl-1H-indol-6-yl)-N,N-dimethylmethanamine | Dibenzo[b,f][1,4]thiazepin-11(10H)-one | MFCD00901197 | O10365 | Dibenzo[b,f][1,4]thiazepin-11(10H)-one # | QUETIAPINE FUMARATE IMPURITY G [EP IMPURITY] | DS-0806 | Dibenzo[b,f][1,4]thiazepin-11(10H
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
D134111-5g
2

$9.90

$14.90
Save $5.00 (33.56%)
25g
D134111-25g
3

$24.90

$37.90
Save $13.00 (34.30%)
100g
D134111-100g
3

$95.90

$143.90
Save $48.00 (33.36%)
500g
D134111-500g
1

$322.90

$484.90
Save $162.00 (33.41%)
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Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
1-(2, 3-Dimethyl-1H-indol-6-yl)-N, N-dimethylmethanamine | Dibenzo[b, f][1, 4]thiazepin-11(10H)-one | MFCD00901197 | O10365 | Dibenzo[b, f][1, 4]thiazepin-11(10H)-one # | QUETIAPINE FUMARATE IMPURITY G [EP IMPURITY] | DS-0806 | Dibenzo[b, f][1, 4]thiazepin-11(10H
Specifications & Purity
≥98%(HPLC)
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%(HPLC)
Names and Identifiers
Pubchem Sid504758606
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504758606
Canonical SmilesC1=CC=C2C(=C1)C(=O)NC3=CC=CC=C3S2
IUPAC Name5H-benzo[b][1,4]benzothiazepin-6-one
InChIKeyRTERDTBXBYNZIS-UHFFFAOYSA-N
INCHI1S/C13H9NOS/c15-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)14-13/h1-8H,(H,14,15)
Isomeric SMILES C1=CC=C2C(=C1)C(=O)NC3=CC=CC=C3S2
Molecular Weight 227.28
Reaxy-Rn 173550
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=173550&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzothiazepines
SubclassDibenzothiazepines
Intermediate Tree Nodes Not available
Direct ParentDibenzothiazepines
Alternative Parents Diarylthioethers  Vinylogous thioesters  Benzenoids  Secondary carboxylic acid amides  Lactams  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Dibenzothiazepine - Diarylthioether - Aryl thioether - Benzenoid - Vinylogous thioester - Carboxamide group - Lactam - Secondary carboxylic acid amide - Thioether - Carboxylic acid derivative - Azacycle - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as dibenzothiazepines. These are compounds containing a dibenzothiazepine moiety, which consists of two benzene connected by a thiazepine ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
Huh-7 (12904 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium yoelii (6656 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDateItem
J1624069Certificate of AnalysisNov 13, 2025 D134111
K2120560Certificate of AnalysisSep 18, 2023 D134111
K2120604Certificate of AnalysisSep 18, 2023 D134111
K2122025Certificate of AnalysisSep 18, 2023 D134111
Chemical and Physical Properties
SensitivityHeat sensitive
Melt Point(°C)265°C
Molecular Weight227.280 g/mol
XLogP32.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass227.04 Da
Monoisotopic Mass227.04 Da
Topological Polar Surface Area54.400 Ų
Heavy Atom Count16
Formal Charge0
Complexity281.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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