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1，8-Bis(phenylthio)-9，10-anthracenedione - BioReagent, high purity , CAS No.13676-91-0

COA

Grade & Purity:

BioReagent

Cas Number: 13676-91-0
EC Number: 237-167-6,600-776-6
PubChem CID: 83650

In stock

Item Number

B770710

Grouped product items
SKU	Size	Availability	Price
B770710-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$45.90
B770710-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$116.90
B770710-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$233.90
B770710-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$583.90

Basic Description

Specifications & Purity	BioReagent
Storage Temp	Room temperature
Shipped In	Normal
Grade	BioReagent

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Anthracenes
    - Subclass Anthraquinones

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Anthracenes
Subclass	Anthraquinones
Intermediate Tree Nodes	Not available
Direct Parent	Anthraquinones
Alternative Parents	Diarylthioethers Thiophenol ethers Aryl ketones Vinylogous thioesters Benzene and substituted derivatives Sulfenyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	9,10-anthraquinone - Anthraquinone - Diarylthioether - Aryl thioether - Thiophenol ether - Aryl ketone - Monocyclic benzene moiety - Vinylogous thioester - Ketone - Thioether - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
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	1,8-bis(phenylsulfanyl)anthracene-9,10-dione
INCHI	InChI=1S/C26H16O2S2/c27-25-19-13-7-15-21(29-17-9-3-1-4-10-17)23(19)26(28)24-20(25)14-8-16-22(24)30-18-11-5-2-6-12-18/h1-16H
InChIKey	CNRPDCKHCGUKDK-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=CC=CC=C5
Isomeric SMILES	C1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=CC=CC=C5
Alternate CAS	106768-99-4,13676-91-0
PubChem CID	83650
NSC Number	156516

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	424.500 g/mol
XLogP3	7.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	424.059 Da
Monoisotopic Mass	424.059 Da
Topological Polar Surface Area	84.700 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	573.000
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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