Cas no 896618-58-9 ( )

  structure
  structure
Product Name: 
CAS No:896618-58-9
MF:C13H12OS
MW:216.298782348633
MDL:MFCD07699026
CID:878479
PubChem ID:24723397
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • (2,3-dimethylphenyl)-thiophen-3-ylmethanone
    • 3-(2,3-DIMETHYLBENZOYL)THIOPHENE
    • DTXSID60641837
    • 896618-58-9
    • (2,3-Dimethylphenyl)(thiophen-3-yl)methanone
    • MFCD07699026
    • AKOS011841221
    •  
    • MDL: MFCD07699026
    • Inchi: 1S/C13H12OS/c1-9-4-3-5-12(10(9)2)13(14)11-6-7-15-8-11/h3-8H,1-2H3
    • InChI Key: SSQQVQVYUDJNFC-UHFFFAOYSA-N
    • SMILES: S1C=CC(=C1)C(C1C=CC=C(C)C=1C)=O

Computed Properties

  • Exact Mass: 216.06100
  • Monoisotopic Mass: 216.06088618g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 239
  • 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: 3.7
  • Topological Polar Surface Area: 45.3?2

Experimental Properties

  • Density: 1.14
  • Boiling Point: 328°C at 760 mmHg
  • Flash Point: 152.2°C
  • Refractive Index: 1.591
  • PSA: 45.31000
  • LogP: 3.59590

  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%

  Pricemore >>

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