Cas no 3133-81-1 (methyl 3-methyl-1-benzothiophene-2-carboxylate)

methyl 3-methyl-1-benzothiophene-2-carboxylate structure
3133-81-1 structure
Product Name:methyl 3-methyl-1-benzothiophene-2-carboxylate
CAS No:3133-81-1
MF:C11H10O2S
MW:206.260901927948
MDL:MFCD02683110
CID:323591
PubChem ID:268658
Update Time:2025-04-19

methyl 3-methyl-1-benzothiophene-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Benzo[b]thiophene-2-carboxylicacid, 3-methyl-, methyl ester
    • Methyl 3-methylbenzo[b]thiophene-2-carboxylate
    • methyl 3-methyl-1-benzothiophene-2-carboxylate
    • methyl 3-methylbenzothiophene-2-carboxylate
    • FDBXIMKCWBPTDG-UHFFFAOYSA-N
    • MFCD02683110
    • NSC108971
    • METHYL 3-METHYLBENZO(B)THIOPHENE-2-CARBOXYLATE
    • methyl3-methylbenzo[b]thiophene-2-carboxylate
    • 3-methyl-benzo[b]thiophene-2-carboxylic acid methyl ester
    • FT-0732164
    • A875942
    • methyl 3-methylbenzo[b]thiophen-2-carboxylate
    • NSC-108971
    • CS-0063188
    • 3133-81-1
    • AS-42409
    • SCHEMBL1031488
    • AKOS017279734
    • DTXSID20296367
    • SY101083
    • MDL： MFCD02683110
    • Inchi： 1S/C11H10O2S/c1-7-8-5-3-4-6-9(8)14-10(7)11(12)13-2/h3-6H,1-2H3
    • InChI Key： FDBXIMKCWBPTDG-UHFFFAOYSA-N
    • SMILES： S1C(C(=O)OC)=C(C)C2C=CC=CC1=2

Computed Properties

  • Exact Mass: 206.04000
  • Monoisotopic Mass: 206.04015073g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 229
  • 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: 3.5
  • Topological Polar Surface Area: 54.5?2

Experimental Properties

  • Color/Form: Not available
  • Melting Point: 102-105°C
  • PSA: 54.54000
  • LogP: 2.99630
  • Solubility: Not available

methyl 3-methyl-1-benzothiophene-2-carboxylate 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%

methyl 3-methyl-1-benzothiophene-2-carboxylate Pricemore >>

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