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Thiophene-2-carboxaldehyde diethylacetal , CAS No.13959-97-2

COA

Cas Number: 13959-97-2
Molecular Weight: 186.27
PubChem CID: 12280018

In stock

Item Number

T167178

Grouped product items
SKU	Size	Availability	Price	Qty
T167178-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$100.90

Basic Description

Synonyms	2-(diethoxymethyl)thiophene \| 13959-97-2 \| Thiophene-2-carboxaldehyde diethylacetal \| 2-Diethoxymethylthiophene \| 2-diethoxy methyl thiophene \| 2-(diethoxymethyl) thiophene \| 2-(diethoxymethyl)-thiophene \| 2-(diethoxy-methyl)-thiophene \| SCHEMBL8409514 \| Thiophene, 2-(diet
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Heteroaromatic compounds

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Heteroaromatic compounds
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Heteroaromatic compounds
Alternative Parents	Thiophenes Acetals Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Heteroaromatic compound - Thiophene - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero 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

IUPAC Name	2-(diethoxymethyl)thiophene
INCHI	InChI=1S/C9H14O2S/c1-3-10-9(11-4-2)8-6-5-7-12-8/h5-7,9H,3-4H2,1-2H3
InChIKey	XAGPTGMAMGKKTF-UHFFFAOYSA-N
Smiles	CCOC(C1=CC=CS1)OCC
Isomeric SMILES	CCOC(C1=CC=CS1)OCC
PubChem CID	12280018
Molecular Weight	186.27

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	186.270 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	186.071 Da
Monoisotopic Mass	186.071 Da
Topological Polar Surface Area	46.700 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	113.000
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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