6,7-Dihydro-4H-thieno[3,2-c]pyran-2-carboxylic acid - ≥95% , CAS No.933747-41-2

CAS: 933747-41-2 Cat. No.: D304996 Molecular Weight: 184.21 EC Number: 822-656-4

GRADE & PURITY ≥95%

Synonyms

6,7-Dihydro-4H-thieno-[3,2-c]pyran-2-carboxylic acid | 6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxylic acid | AM807298 | AS-8975 | DTXSID50656233 | Z440605398 | SCHEMBL3747986 | 6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxylicacid | AKOS009624870 | EN300-686

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

6, 7-Dihydro-4H-thieno-[3, 2-c]pyran-2-carboxylic acid | 6, 7-dihydro-4H-thieno[3, 2-c]pyran-2-carboxylic acid | AM807298 | AS-8975 | DTXSID50656233 | Z440605398 | SCHEMBL3747986 | 6, 7-dihydro-4H-thieno[3, 2-c]pyran-2-carboxylicacid | AKOS009624870 | EN300-686

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504770217
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770217
• Canonical Smiles: C1COCC2=C1SC(=C2)C(=O)O
• IUPAC Name: 6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxylic acid
• InChIKey: JTAGXSCOVOJESP-UHFFFAOYSA-N
• INCHI: 1S/C8H8O3S/c9-8(10)7-3-5-4-11-2-1-6(5)12-7/h3H,1-2,4H2,(H,9,10)
• Isomeric SMILES: C1COCC2=C1SC(=C2)C(=O)O
• Molecular Weight: 184.21
• Reaxy-Rn: 28406425
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28406425&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thienopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thienopyrans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyrans
• Alternative Parents: Thiophene carboxylic acids 2,3,5-trisubstituted thiophenes Pyrans Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyran - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Pyran - Heteroaromatic compound - Thiophene - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as thienopyrans. These are heterocyclic compounds containing a thiophene ring fused to a pyran ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 184.210 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 184.019 Da
• Monoisotopic Mass: 184.019 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 195.000
• 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