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1-Chloro-4-propoxy-9H-thioxanthen-9-one - ≥98%, high purity , CAS No.142770-42-1

COA

Grade & Purity:

≥98%

Cas Number: 142770-42-1
Molecular Weight: 304.79
MDL number: MFCD00191928
PubChem CID: 5212856
PubChem SID: 488195157

In stock

Item Number

C405523

Grouped product items
SKU	Size	Availability	Price
C405523-250mg	250mg	3	$9.90
C405523-1g	1g	2	$16.90
C405523-5g	5g	2	$33.90
C405523-25g	25g	1	$117.90
C405523-100g	100g	1	$421.90

Basic Description

Synonyms	Z87001799 \| SR-01000388444 \| SCHEMBL108341 \| 9H-Thioxanthen-9-one, 1-chloro-4-propoxy- \| VKQJCUYEEABXNK-UHFFFAOYSA-N \| EN300-18648 \| 1-Chloro-4-n-propoxythioxanthone \| 9H-Thioxanthen-9-one,1-chloro-4-propoxy- \| C16H13ClO2S \| C3452 \| 1-Chloro-4-propoxy-9H-
Specifications & Purity	≥98%
Storage Temp	Protected from light,Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thiochromenes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thiochromenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thiochromenes
Alternative Parents	1-benzothiopyrans Alkyl aryl ethers Benzenoids Aryl chlorides Vinylogous halides Heteroaromatic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Thiochromene - 1-benzothiopyran - Benzothiopyran - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Heteroaromatic compound - Vinylogous halide - Ether - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as thiochromenes. These are organosulfur compounds that are analogues to chromene, with the difference that a sulfur atom replaces the oxygen atom.
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

Pubchem Sid	488195157
IUPAC Name	1-chloro-4-propoxythioxanthen-9-one
INCHI	InChI=1S/C16H13ClO2S/c1-2-9-19-12-8-7-11(17)14-15(18)10-5-3-4-6-13(10)20-16(12)14/h3-8H,2,9H2,1H3
InChIKey	VKQJCUYEEABXNK-UHFFFAOYSA-N
Smiles	CCCOC1=C2C(=C(C=C1)Cl)C(=O)C3=CC=CC=C3S2
Isomeric SMILES	CCCOC1=C2C(=C(C=C1)Cl)C(=O)C3=CC=CC=C3S2
Molecular Weight	304.79
Reaxy-Rn	6657602
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6657602&ln=

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

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Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
I2320400	Certificate of Analysis	Sep 06, 2023	C405523
I2320391	Certificate of Analysis	Sep 06, 2023	C405523
I2320394	Certificate of Analysis	Sep 06, 2023	C405523
I2320395	Certificate of Analysis	Sep 06, 2023	C405523
I2320393	Certificate of Analysis	Sep 06, 2023	C405523
I2320396	Certificate of Analysis	Sep 06, 2023	C405523
I2320398	Certificate of Analysis	Sep 06, 2023	C405523
I2320392	Certificate of Analysis	Sep 06, 2023	C405523
I2320397	Certificate of Analysis	Sep 06, 2023	C405523
I2320399	Certificate of Analysis	Sep 06, 2023	C405523

Chemical and Physical Properties

Sensitivity	Moisture Sensitive；Light sensitive
Melt Point(°C)	104 °C
Molecular Weight	304.800 g/mol
XLogP3	5.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	304.032 Da
Monoisotopic Mass	304.032 Da
Topological Polar Surface Area	51.600 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	362.000
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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