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ethyl 5-amino-3,4-dimethyl-thieno[2,3-c]pyridazine-6-carboxylate - 97%, high purity , CAS No.717840-40-9
Basic Description
Synonyms
ethyl 5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxylate | 717840-40-9 | SCHEMBL16515274 | D73991 | EN300-23901338
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiophenes
Subclass
Thiophene carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Thiophene carboxylic acids and derivatives
Alternative Parents
Pyridazines and derivatives Aminothiophenes Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thiophene carboxylic acid or derivatives - Aminothiophene - Pyridazine - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Amine - Organic oxide - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thiophene carboxylic acids and derivatives. These are compounds containing a thiophene ring which bears a carboxylic acid group (or a salt/ester thereof).
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
ethyl 5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxylate
INCHI
InChI=1S/C11H13N3O2S/c1-4-16-11(15)9-8(12)7-5(2)6(3)13-14-10(7)17-9/h4,12H2,1-3H3
InChIKey
PGWLTAWIRLYKOO-UHFFFAOYSA-N
Smiles
CCOC(=O)C1=C(C2=C(S1)N=NC(=C2C)C)N
Isomeric SMILES
CCOC(=O)C1=C(C2=C(S1)N=NC(=C2C)C)N
PubChem CID
7309060
Molecular Weight
251.3
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
251.310 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Exact Mass
251.073 Da
Monoisotopic Mass
251.073 Da
Topological Polar Surface Area
106.000 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
302.000
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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