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(4-bromo-1H-pyrrol-2-yl)(1,4-thiazinan-4-yl)methanone , CAS No.923200-04-8

(4-bromo-1H-pyrrol-2-yl)(1,4-thiazinan-4-yl)methanone , CAS No.923200-04-8

Name: (4-bromo-1H-pyrrol-2-yl)(1,4-thiazinan-4-yl)methanone , CAS No.923200-04-8
Brand: Aladdin Scientific
SKU: B935329
Availability: InStock

CAS: 923200-04-8 Cat. No.: B935329 Molecular Weight: 275.17 PubChem CID: 16412757

COA

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(4-bromo-1H-pyrrol-2-yl)(1,4-thiazinan-4-yl)methanone - CAS No(923200-04-8) by Aladdin Scientific

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AVAILABLE TO ORDER

Storage

Room temperature

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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

Storage

Room temperature

Names and Identifiers

Canonical Smiles	C1CSCCN1C(=O)C2=CC(=CN2)Br
IUPAC Name	(4-bromo-1H-pyrrol-2-yl)-thiomorpholin-4-ylmethanone
InChIKey	PHLCNAGMDRCRFV-UHFFFAOYSA-N
INCHI	1S/C9H11BrN2OS/c10-7-5-8(11-6-7)9(13)12-1-3-14-4-2-12/h5-6,11H,1-4H2
Isomeric SMILES	C1CSCCN1C(=O)C2=CC(=CN2)Br
PubChem CID	16412757
Molecular Weight	275.17

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives
      - Level5 Carboxylic acid amides
        Level6 2-heteroaryl carboxamides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Carboxylic acid amides
Direct Parent	2-heteroaryl carboxamides
Alternative Parents	Pyrrole carboxamides Thiomorpholines Substituted pyrroles Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Dialkylthioethers Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Substituted pyrrole - 1,4-thiazinane - Heteroaromatic compound - Pyrrole - Tertiary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Dialkylthioether - Thioether - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	275.170 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	273.978 Da
Monoisotopic Mass	273.978 Da
Topological Polar Surface Area	61.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	221.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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