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2-Acetyl-10-(3-chloropropyl)phenothiazine - ≥90%, high purity , CAS No.39481-55-5

COA

Grade & Purity:

≥90%

Cas Number: 39481-55-5
Molecular Weight: 317.83
PubChem CID: 3016079

In stock

Item Number

A768618

Grouped product items
SKU	Size	Availability	Price	Qty
A768618-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$432.90
A768618-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$858.90

Basic Description

Specifications & Purity	≥90%
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzothiazines
    - Subclass Phenothiazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzothiazines
Subclass	Phenothiazines
Intermediate Tree Nodes	Not available
Direct Parent	Phenothiazines
Alternative Parents	Alkyldiarylamines Diarylthioethers Acetophenones Aryl alkyl ketones 1,4-thiazines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenothiazine - Alkyldiarylamine - Diarylthioether - Acetophenone - Aryl thioether - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Aryl ketone - Para-thiazine - Benzenoid - Ketone - Tertiary amine - Thioether - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl chloride - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.
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

Names and Identifiers

IUPAC Name	1-[10-(3-chloropropyl)phenothiazin-2-yl]ethanone
INCHI	InChI=1S/C17H16ClNOS/c1-12(20)13-7-8-17-15(11-13)19(10-4-9-18)14-5-2-3-6-16(14)21-17/h2-3,5-8,11H,4,9-10H2,1H3
InChIKey	LSYMJLKGKFWMLP-UHFFFAOYSA-N
Smiles	CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCCl
Isomeric SMILES	CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCCl
PubChem CID	3016079
Molecular Weight	317.83

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	317.800 g/mol
XLogP3	4.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	317.064 Da
Monoisotopic Mass	317.064 Da
Topological Polar Surface Area	45.600 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	378.000
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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