6,7-Dihydro-4H-pyrano[4,3-d]thiazol-2-amine hydrochloride , CAS No.623931-31-7

CAS: 623931-31-7 Cat. No.: D171233 Molecular Weight: 192.67

Synonyms

6,7-Dihydro-4H-pyrano[4,3-d]thiazol-2-amine hydrochloride, AldrichCPR | C6H9ClN2OS | GS-3734 | MFCD05664040 | 6,7-DIHYDRO-4H-PYRAN[4,3-D]THIAZOL-2-YLAMINE HYDROCHLORIDE | SCHEMBL3580520 | YZA93131 | 6,7-Dihydro-4h-pyrano[4,3-d]thiazol-2-ylamine hydrochlor

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

6, 7-Dihydro-4H-pyrano[4, 3-d]thiazol-2-amine hydrochloride, AldrichCPR | C6H9ClN2OS | GS-3734 | MFCD05664040 | 6, 7-DIHYDRO-4H-PYRAN[4, 3-D]THIAZOL-2-YLAMINE HYDROCHLORIDE | SCHEMBL3580520 | YZA93131 | 6, 7-Dihydro-4h-pyrano[4, 3-d]thiazol-2-ylamine hydrochlor

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: C1COCC2=C1N=C(S2)N.Cl
• IUPAC Name: 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine;hydrochloride
• InChIKey: QEKDSMUYYQIGCO-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2OS.ClH/c7-6-8-4-1-2-9-3-5(4)10-6;/h1-3H2,(H2,7,8);1H
• Isomeric SMILES: C1COCC2=C1N=C(S2)N.Cl
• Molecular Weight: 192.67
• Reaxy-Rn: 14526164
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14526164&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Thiazoles
        • Level5 Aminothiazoles
          • Level6 2-amino-1,3-thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Aminothiazoles
• Direct Parent: 2-amino-1,3-thiazoles
• Alternative Parents: Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary amines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-thiazol-2-amine - Heteroaromatic compound - Oxacycle - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-amino-1,3-thiazoles. These are compounds containing a 1,3-thiazole ring substituted by an amine group at the 2-position.
• 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: 192.670 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 192.012 Da
• Monoisotopic Mass: 192.012 Da
• Topological Polar Surface Area: 76.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 133.000
• 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: 2

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