The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
1,3-Bis(2-ethylhexyl)-5,7-di(thiophen-2-yl)benzo[1,2-c:4,5-c']dithiophene-4,8-dione - 97%, high purity , CAS No.1415929-77-9
Basic Description
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C,Protected from light,Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Bi- and oligothiophenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Bi- and oligothiophenes
Alternative Parents
Aryl ketones Vinylogous thioesters Alpha-branched alpha,beta-unsaturated ketones Thiophenes Heteroaromatic compounds Enones Acryloyl compounds Thioenol ethers Sulfenyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bithiophene - Aryl ketone - Vinylogous thioester - Alpha-branched alpha,beta-unsaturated-ketone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Thiophene - Enone - Acryloyl-group - Thioenolether - Ketone - Sulfenyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as bi- and oligothiophenes. These are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
5,7-bis(2-ethylhexyl)-1,3-dithiophen-2-ylthieno[3,4-f][2]benzothiole-4,8-dione
INCHI
InChI=1S/C34H40O2S4/c1-5-9-13-21(7-3)19-25-27-28(26(39-25)20-22(8-4)14-10-6-2)32(36)30-29(31(27)35)33(23-15-11-17-37-23)40-34(30)24-16-12-18-38-24/h11-12,15-18,21-22H,5-10,13-14,19-20H2,1-4H3
InChIKey
CHHDMAXVJHPGNT-UHFFFAOYSA-N
Smiles
CCCCC(CC)CC1=C2C(=C(S1)CC(CC)CCCC)C(=O)C3=C(SC(=C3C2=O)C4=CC=CS4)C5=CC=CS5
Isomeric SMILES
CCCCC(CC)CC1=C2C(=C(S1)CC(CC)CCCC)C(=O)C3=C(SC(=C3C2=O)C4=CC=CS4)C5=CC=CS5
Molecular Weight
608.94
Reaxy-Rn
30676257
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30676257&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
608.900 g/mol
XLogP3
12.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
14
Exact Mass
608.191 Da
Monoisotopic Mass
608.191 Da
Topological Polar Surface Area
147.000 Ų
Heavy Atom Count
40
Formal Charge
0
Complexity
784.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
H2323722