Cas no 1000564-79-3 (3-(5-Chlorothiophen-2-yl)propan-1-amine)

3-(5-Chlorothiophen-2-yl)propan-1-amine is a versatile organic compound featuring a chlorothiophene moiety linked to a propylamine chain. Its unique structure makes it valuable as a building block in pharmaceutical and agrochemical synthesis, particularly in the development of active intermediates. The chlorothiophene group enhances reactivity, enabling selective functionalization, while the terminal amine group offers further derivatization potential. This compound exhibits good stability under standard conditions, facilitating handling and storage. Its well-defined chemical properties ensure consistent performance in coupling reactions, cyclizations, and other transformations. Researchers favor it for its balanced reactivity and compatibility with diverse synthetic pathways, making it a practical choice for heterocyclic and medicinal chemistry applications.
3-(5-Chlorothiophen-2-yl)propan-1-amine structure
1000564-79-3 structure
Product Name:3-(5-Chlorothiophen-2-yl)propan-1-amine
CAS No:1000564-79-3
MF:C7H10ClNS
MW:175.678999423981
CID:4558450
PubChem ID:43445795
Update Time:2025-06-07

3-(5-Chlorothiophen-2-yl)propan-1-amine Chemical and Physical Properties

Names and Identifiers

    • 3-(5-chlorothiophen-2-yl)propan-1-amine
    • 2-Thiophenepropanamine, 5-chloro-
    • 3-(5-Chlorothiophen-2-yl)propan-1-amine
    • Inchi: 1S/C7H10ClNS/c8-7-4-3-6(10-7)2-1-5-9/h3-4H,1-2,5,9H2
    • InChI Key: QLTBPZNOWOEBDH-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(CCCN)S1

Computed Properties

  • Exact Mass: 175.022248g/mol
  • Monoisotopic Mass: 175.022248g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 99.6
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 175.68g/mol
  • XLogP3: 2.3
  • Topological Polar Surface Area: 54.3

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 245.8±30.0 °C at 760 mmHg
  • Flash Point: 102.4±24.6 °C
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

3-(5-Chlorothiophen-2-yl)propan-1-amine Security Information

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