Cas no 66729-79-1 (2-Thiopenecarboxaldehyde, 3,4,5-trichloro-)

2-Thiopenecarboxaldehyde, 3,4,5-trichloro- structure
66729-79-1 structure
Product Name:2-Thiopenecarboxaldehyde, 3,4,5-trichloro-
CAS No:66729-79-1
MF:C5HCl3OS
MW:215.484837293625
CID:964516
PubChem ID:152784
Update Time:2025-04-19

2-Thiopenecarboxaldehyde, 3,4,5-trichloro- Chemical and Physical Properties

Names and Identifiers

    • 2-Thiopenecarboxaldehyde, 3,4,5-trichloro-
    • 3,4,5-trichlorothiophene-2-carbaldehyde
    • 66729-79-1
    • SCHEMBL8136097
    • 2-Formyl-3,4,5-trichlorothiophene
    • DTXSID70216873
    • 2-Thiopenecarboxaldehyde,3,4,5-trichloro-
    • 3,4,5-Trichloro-2-Thiophenecarboxaldehyde
    • WHAANKKZROAKJB-UHFFFAOYSA-N
    • DB-410369
    • Inchi: 1S/C5HCl3OS/c6-3-2(1-9)10-5(8)4(3)7/h1H
    • InChI Key: WHAANKKZROAKJB-UHFFFAOYSA-N
    • SMILES: ClC1C(=C(SC=1C=O)Cl)Cl

Computed Properties

  • Exact Mass: 213.881
  • Monoisotopic Mass: 213.881
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 143
  • 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
  • XLogP3: 3.6
  • Topological Polar Surface Area: 45.3?2

Experimental Properties

  • Density: 1.704
  • Boiling Point: 283.1°C at 760 mmHg
  • Flash Point: 125°C
  • Refractive Index: 1.649

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