2,5-Dicarboxylic acid-3,4-ethylene dioxythiophene

Inquiry

Molecular Formula:

C8H6O6S

Molecular Weight:

230.19

CAS Number:

18361-03-0

Catalog Number:

18361-03-0

Product Information

Molecular Formula:

C8H6O6S

Molecular Weight:

230.19

Description

2,5-Dicarboxylic acid-3,4-ethylene dioxythiophene is a monomer which is frequently used in biomedical research for the synthesis of conducting polymers. These novel materials show potential towards a range of applications in cancer therapy and drug delivery systems due to their biocompatibility.

Synonyms

3,4-ETHYLENEDIOXOTHIOPHENE-2,5-DICARBOXYLIC ACID; 2,3-Dihydro-thieno[3,4-b]-p-dioxin-5,7-dicarboxylic acid; Thieno[3,4-B]-1,4-Dioxin-5,7-DicarboxylicAcid,2,3-Dihydro-; 3,4-Ethylendioxythiophen-2,5-dicarbonsure; 2,5-Dicarboxylic acid-3,4-ethylene dioxythiophe

IUPAC Name

2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid

Canonical SMILES

C1COC2=C(SC(=C2O1)C(=O)O)C(=O)O

InChI

InChI=1S/C8H6O6S/c9-7(10)5-3-4(14-2-1-13-3)6(15-5)8(11)12/h1-2H2,(H,9,10)(H,11,12)

InChI Key

NWIYUAISDYJVMZ-UHFFFAOYSA-N

Boiling Point

482.6ºC at 760 mmHg

Melting Point

319.5-321.2 °C

Purity

98%

Density

1.732 g/cm3

Appearance

White to Light yellow powder to crystal

Safety Information

Hazards

H302+H312+H332:
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352+P312:
IF ON SKIN:
Wash with plenty of soap and water.
Call a POISON CENTER or doctor/physician if you feel unwell.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P337+P313:
If eye irritation persists:
Get medical advice/attention.

Computed Properties

XLogP3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

229.98850908 g/mol

Monoisotopic Mass

229.98850908 g/mol

Topological Polar Surface Area

121Å²

Heavy Atom Count

Formal Charge

Complexity

265

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-113912862-A	Samarium coordination polymer constructed by thiophenedicarboxylic acid and 1, 10-phenanthroline and preparation method thereof	2021-11-18
CN-114196031-A	Preparation method and application of POTS (plain old telephone service) super-hydrophobic modified material based on thiophene MOFs (metal-organic frameworks)	2021-09-04
CN-112778518-A	Amide-bridged organic polymer hole transport material and synthesis method and application thereof	2020-12-30
CN-112409499-A	Transparent conductive film and preparation method thereof	2020-10-09
JP-2022041899-A	Resin composition, resin film and display device	2020-08-31
JP-2022041900-A	Laminates and display devices	2020-08-31
JP-2022041901-A	Laminates and display devices	2020-08-31
WO-2022044822-A1	Resin composition, resin film, and display device	2020-08-31
WO-2022044823-A1	Layered body and display device	2020-08-31
WO-2022044824-A1	Layered body and display device	2020-08-31

Literatures

PMID	Publication Date	Title	Journal
20598892	2010-07-15	Virtual fragment screening for novel inhibitors of 6-phosphogluconate dehydrogenase	Bioorganic & medicinal chemistry

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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