Cas no 588698-05-9 (5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic Acid)

5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic Acid structure
588698-05-9 structure
Product Name:5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic Acid
CAS No:588698-05-9
MF:C10H12O2S
MW:196.266081809998
MDL:MFCD03944879
CID:879818
PubChem ID:4999704
Update Time:2025-04-19

5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 5-Methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid
    • 5-Methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
    • (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
    • (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
    • AC1NM8HD
    • AC1Q2QTT
    • Oprea1_325281
    • ST082324
    • SureCN3348661
    • 588698-05-9
    • 5-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylicacid
    • STK437023
    • ALBB-000961
    • DB-028500
    • DTXSID00407393
    • MFCD03944879
    • D73365
    • 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid, AldrichCPR
    • AKOS000307337
    • SCHEMBL3348661
    • EN300-11919
    • Z90122014
    • BS-38203
    • HMS1700P18
    • CS-0067192
    • BBL016928
    • 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic Acid
    • MDL: MFCD03944879
    • Inchi: 1S/C10H12O2S/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h5-6H,2-4H2,1H3,(H,11,12)
    • InChI Key: AKQCTDMGIZKFRX-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)O)=CC2=C1CCC(C)C2

Computed Properties

  • Exact Mass: 196.05600
  • Monoisotopic Mass: 196.05580079g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 217
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 65.5?2

Experimental Properties

  • PSA: 65.54000
  • LogP: 2.57110

5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic Acid Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic Acid 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%

5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic Acid Pricemore >>

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