Cas no 4785-67-5 (1,1-dioxo-1λ?-thiolane-3-carboxylic acid)

1,1-Dioxo-1λ?-thiolane-3-carboxylic acid is a sulfone derivative featuring a five-membered thiolane ring with a carboxylic acid functional group at the 3-position. This compound is of interest in synthetic and medicinal chemistry due to its potential as a versatile intermediate for the preparation of biologically active molecules, including sulfonamide-based therapeutics. The presence of both the sulfonyl and carboxyl groups allows for diverse reactivity, enabling modifications at multiple sites. Its rigid cyclic structure may also contribute to enhanced stereochemical control in reactions. The compound is typically utilized in research settings for the development of novel pharmacophores or as a building block in organic synthesis.
1,1-dioxo-1λ?-thiolane-3-carboxylic acid structure
4785-67-5 structure
Product Name:1,1-dioxo-1λ?-thiolane-3-carboxylic acid
CAS No:4785-67-5
MF:C5H8O4S
MW:164.179620742798
MDL:MFCD06809748
CID:332019
PubChem ID:428044
Update Time:2025-05-28

1,1-dioxo-1λ?-thiolane-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Tetrahydrothiophene-3-carboxylic acid 1,1-dioxide
    • 1,1-Dioxo-tetrahydro-1lambda*6*-thiophene-3-carboxylic acid
    • 3-Thiophenecarboxylicacid, tetrahydro-, 1,1-dioxide
    • Azetidin-3-ylmethyl-methyl-carbamic acid tert-butyl ester
    • 1,1-dioxothiolane-3-carboxylic acid
    • tetrahydrothiophene-3-carboxylic acid 1,1-dioxide(SALTDATA: FREE)
    • 1,1-dioxo-1λ?-thiolane-3-carboxylic acid
    • DTXSID20330235
    • TETRAHYDROTHIOPHENE-3-CARBOXYLICACID1,1-DIOXIDE
    • ASRQWTBGINUTIX-UHFFFAOYSA-N
    • 4785-67-5
    • AKOS016039851
    • AS-871/43306536
    • 1,1-Dioxotetrahydrothiophene-3-carboxylic acid
    • BB 0262142
    • EN300-14437
    • Z104341242
    • MFCD06809748
    • HMS1698N05
    • F12823
    • CS-0060828
    • BS-13185
    • J-524882
    • 11-DIOXO-1LAMBDA6-THIOLANE-3-CARBOXYLIC ACID
    • AKOS000269844
    • SY023293
    • A872047
    • 1,1-Dioxo-tetrahydrothiophene-3-carboxylic acid
    • F3204-0008
    • 1,1-dioxo-1??-thiolane-3-carboxylic acid
    • 1,1-Dioxo-tetrahydro-thiophene-3-carboxylic acid
    • 1,1-dioxo-1lambda6-thiolane-3-carboxylic acid
    • SCHEMBL283932
    • STK787931
    • DB-353112
    • Tetrahydro-3-thiophenecarboxylic acid 1,1-dioxide
    • BBL012835
    • MDL： MFCD06809748
    • Inchi： 1S/C5H8O4S/c6-5(7)4-1-2-10(8,9)3-4/h4H,1-3H2,(H,6,7)
    • InChI Key： ASRQWTBGINUTIX-UHFFFAOYSA-N
    • SMILES： S1(CCC(C(=O)O)C1)(=O)=O

Computed Properties

  • Exact Mass: 164.01400
  • Monoisotopic Mass: 164.01432991g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 235
  • 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: -0.7
  • Topological Polar Surface Area: 79.8?2

Experimental Properties

  • Boiling Point: 465℃ at 760mmHg
  • PSA: 79.82000
  • LogP: 0.58650

1,1-dioxo-1λ?-thiolane-3-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%

1,1-dioxo-1λ?-thiolane-3-carboxylic acid Pricemore >>

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