Cas no 53119-25-8 (1-(Thien-2-yl)pentan-1-one)

1-(Thien-2-yl)pentan-1-one structure
1-(Thien-2-yl)pentan-1-one structure
Product Name:1-(Thien-2-yl)pentan-1-one
CAS No:53119-25-8
MF:C9H12OS
MW:168.255981445313
MDL:MFCD00053149
CID:89742
Update Time:2026-05-14

1-(Thien-2-yl)pentan-1-one Chemical and Physical Properties

Names and Identifiers

    • 2-Valerylthiophene
    • 1-Thien-2-ylpentan-1-one
    • 1-thiophen-2-ylpentan-1-one
    • 1-(2-Thienyl)-1-pentanone
    • 1-(2-thienyl)pentan-1-one
    • 1-(thiophen-2-yl)pentan-1-one
    • 1-[2]Thienyl-pentan-1-on
    • 2-thienyl butyl ketone
    • butyl thophene-2-yl ketone
    • Butyl-<2>thienyl-keton
    • Butyl-thienyl-(2)-keton
    • 1-(Thien-2-yl)pentan-1-one
    • MDL: MFCD00053149
    • Inchi: InChI=1S/C9H12OS/c1-2-3-5-8(10)9-6-4-7-11-9/h4,6-7H,2-3,5H2,1H3
    • InChI Key: KJMPRCVRMAHTBR-UHFFFAOYSA-N
    • SMILES: CCCCC(=O)C1=CC=CS1

Computed Properties

  • Exact Mass: 168.06100
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 134
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: nothing

Experimental Properties

  • Density: 1.051
  • Boiling Point: 262.7°C at 760 mmHg
  • Flash Point: 112.7°C
  • Refractive Index: 1.5358
  • PSA: 45.31000
  • LogP: 3.12100

1-(Thien-2-yl)pentan-1-one Security Information

  • HazardClass:IRRITANT

1-(Thien-2-yl)pentan-1-one Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-(Thien-2-yl)pentan-1-one Pricemore >>

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