2-chloro-5H,7H-6λ⁶-thieno[3,4-d]pyrimidine-6,6-dione - ≥97% , CAS No.1783678-42-1

CAS: 1783678-42-1 Cat. No.: C630407 Molecular Weight: 204.63 EC Number: 187-198-3 PubChem CID: 105456939

GRADE & PURITY ≥97%

Synonyms

1783678-42-1 | 2-Chloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide | 2-chloro-5H,7H-6lambda-thieno[3,4-d]pyrimidine-6,6-dione | MFCD31926762 | E73700 | 2-Chloro-5H,7H-6-thieno[3,4-d]pyrimidine-6,6-dione

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1783678-42-1 | 2-Chloro-5, 7-dihydrothieno[3, 4-d]pyrimidine 6, 6-dioxide | 2-chloro-5H, 7H-6lambda-thieno[3, 4-d]pyrimidine-6, 6-dione | MFCD31926762 | E73700 | 2-Chloro-5H, 7H-6-thieno[3, 4-d]pyrimidine-6, 6-dione

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1C2=CN=C(N=C2CS1(=O)=O)Cl
• IUPAC Name: 2-chloro-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
• InChIKey: SPHRHSDASJTVEH-UHFFFAOYSA-N
• INCHI: 1S/C6H5ClN2O2S/c7-6-8-1-4-2-12(10,11)3-5(4)9-6/h1H,2-3H2
• PubChem CID: 105456939
• Molecular Weight: 204.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thienopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thienopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyrimidines
• Alternative Parents: 2-halopyrimidines Aryl chlorides Sulfones Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyrimidine - Halopyrimidine - 2-halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Sulfone - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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