Cas no 24066-82-8 (Ethyl isothiocyanatoacetate)

Ethyl isothiocyanatoacetate structure
Ethyl isothiocyanatoacetate structure
Product Name:Ethyl isothiocyanatoacetate
CAS No:24066-82-8
MF:C5H7NO2S
MW:145.179579973221
MDL:MFCD00060677
CID:52433
PubChem ID:24856903
Update Time:2025-04-18

Ethyl isothiocyanatoacetate Chemical and Physical Properties

Names and Identifiers

    • ethyl isothiocyanatoacetate
    • Ethyl 2-isothiocyanatoacetate
    • C5H7NO2S
    • ACETIC ACID,ISOTHIOCYANATO-,ETHYL ESTER
    • Carbethoxymethylisothiocyanate
    • Carboethoxymethyl isothiocyanate
    • Ethoxycarbonylmethyl Isothiocyanate
    • Ethyl isothiocyanoacetate
    • Isothiocyanatoacetic Acid Ethyl Ester
    • SCNCH2CO2Et
    • SCNCH2COOEt
    • Carbethoxymethyl isothiocyanate
    • ethoxycarbonylmethylisothiocyanate
    • Acetic acid,2-isothiocyanato-, ethyl ester
    • Acetic acid, 2-isothiocyanato-, ethyl ester
    • IYPSSPPKMLXXRN-UHFFFAOYSA-N
    • Isothiocyanoacetic acid ethyl
    • KSC490C2H
    • J-650315
    • Isothiocyanato-acetic acid ethyl ester
    • FS-4463
    • J-519531
    • 2-04-00-00800 (Beilstein Handbook Reference)
    • MFCD00060677
    • FT-0626197
    • I0558
    • ACETIC ACID, ISOTHIOCYANATO-, ETHYL ESTER
    • SCHEMBL2042195
    • 24066-82-8
    • A4986
    • NS00122426
    • DTXSID40885252
    • isothiocyanato-acetic acid-ethy ester
    • J-802205
    • Ethyl isothiocyanatoacetate, 97%
    • AKOS003354685
    • BRN 0507542
    • D91182
    • STL185593
    • ethyl N-(thioxomethylidene)glycinate
    • Ethyl isothiocyanatoacetate
    • MDL： MFCD00060677
    • Inchi： 1S/C5H7NO2S/c1-2-8-5(7)3-6-4-9/h2-3H2,1H3
    • InChI Key： IYPSSPPKMLXXRN-UHFFFAOYSA-N
    • SMILES： S=C=NCC(=O)OCC
    • BRN： 0507542

Computed Properties

  • Exact Mass: 145.02000
  • Monoisotopic Mass: 145.019749
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 140
  • 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: nothing
  • XLogP3: 2.1
  • Topological Polar Surface Area: 70.8

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.171?g/mL?at 25?°C(lit.)
  • Melting Point: No data available
  • Boiling Point: 215°C(lit.)
  • Flash Point: Degrees Fahrenheit:228.2°F
    Degrees Celsius:109°C
  • Refractive Index: n20/D 1.502(lit.)
  • PSA: 70.75000
  • LogP: 0.65230
  • Solubility: Not determined

Ethyl isothiocyanatoacetate Security Information

Ethyl isothiocyanatoacetate Customs Data

  • HS CODE：2930909090
  • Customs Data：

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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