Cas no 26168-40-1 (2-(1-benzothiophen-3-yl)oxirane)

2-(1-benzothiophen-3-yl)oxirane structure
26168-40-1 structure
Product Name:2-(1-benzothiophen-3-yl)oxirane
CAS No:26168-40-1
MF:C10H8OS
MW:176.234921455383
MDL:MFCD17218294
CID:52864
PubChem ID:53907195
Update Time:2025-04-18

2-(1-benzothiophen-3-yl)oxirane Chemical and Physical Properties

Names and Identifiers

    • 3-Acetylthianaphthene
    • 3-Acetylbenzo[b]thiophene
    • 2-(1-benzothiophen-3-yl)oxirane
    • EN300-111010
    • 1-(1-Benzothien-3-yl)ethanone
    • WLN: T56 DSJ BV1
    • 3-Acetyl benz[b]thiophene
    • Ketone, benzo(b)thien-3-yl methyl
    • Z370714364
    • KETONE, METHYL 3-THIANAPHTHENYL
    • DTXSID2074457
    • 3-Acetylbenzothiophene
    • YQ9UT5BNM9
    • BS-23037
    • CHEMBL564835
    • BRN 0122587
    • J-503492
    • 3-Acetylthionaphthene
    • 26168-40-1
    • FT-0614885
    • W-204800
    • NSC-3226
    • F81484
    • 1128-05-8
    • 3-Acetylbenzo(b)thiophene
    • 1-(1-Benzothiophen-3-Yl)Ethan-1-One
    • 1-(Benzo[b]thiophen-3-yl)ethan-1-one
    • MFCD00051638
    • NS00010764
    • Ketone, benzo[b]thien-3-yl methyl
    • AI3-18374
    • 5-17-10-00173 (Beilstein Handbook Reference)
    • 3-acetyl thianaphthene
    • Ethanone, 1-benzo[b]thien-3-yl-
    • Ethanone, 1-benzo(b)thien-3-yl-
    • 3-ACETYLTHIANAPHTHENE,98
    • 3-acetylbenzo[b]thiophen
    • 1-(benzo[b]thiophen-3-yl)ethanone
    • 1-(1-benzothiene-3-yl)ethanone
    • 1-(1-benzothiophen-3-yl)ethanone
    • 1-(1-Benzothien-3-yl)ethanone #
    • 3-Acetyl benzothiophene
    • NSC3226
    • SY061561
    • NSC 3226
    • AKOS005202893
    • A802654
    • Ethanone, 1-benzo[b]thiophen-3-yl-
    • SCHEMBL1095746
    • CS-0132288
    • 1-Benzo[b]thiophen-3-yl-ethanone
    • 3-Acetylthianaphtene, 98%
    • Benzo[b]thiophene, 3-(2-oxiranyl)-
    • 2-(Benzo[b]thiophen-3-yl)oxirane
    • DB-046853
    • MDL: MFCD17218294
    • Inchi: 1S/C10H8OS/c1-7(11)9-6-12-10-5-3-2-4-8(9)10/h2-6H,1H3
    • InChI Key: ZTTZKDDWXHQKSY-UHFFFAOYSA-N
    • SMILES: S1C=C(C(C)=O)C2C=CC=CC1=2

Computed Properties

  • Exact Mass: 176.02964
  • Monoisotopic Mass: 176.02958605g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 190
  • 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
  • Topological Polar Surface Area: 45.3?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.1917 (rough estimate)
  • Melting Point: 61-65 °C
  • Boiling Point: 165-170 °C (13 mmHg)
  • Refractive Index: 1.5500 (estimate)
  • PSA: 17.07
  • Solubility: Not determined

2-(1-benzothiophen-3-yl)oxirane Security Information

2-(1-benzothiophen-3-yl)oxirane Customs Data

  • HS CODE:29339900

2-(1-benzothiophen-3-yl)oxirane Pricemore >>

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Enamine
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