Cas no 13739-35-0 (3-[(4-methylphenyl)sulfanyl]propanoic acid)

3-[(4-methylphenyl)sulfanyl]propanoic acid structure
13739-35-0 structure
Product Name:3-[(4-methylphenyl)sulfanyl]propanoic acid
CAS No:13739-35-0
MF:C10H12O2S
MW:196.266081809998
CID:200195
PubChem ID:24884143
Update Time:2025-04-19

3-[(4-methylphenyl)sulfanyl]propanoic acid Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid,3-[(4-methylphenyl)thio]-
    • 3-(4-methylphenyl)sulfanylpropanoic acid
    • 3-[(4-Methylphenyl)thio]propanoic acid
    • 3-P-TOLYLSULFANYL-PROPIONIC ACID
    • 3-((4-Methylphenyl)thio)propionic acid
    • 3-(4-methylphenylthio)propanoic acid
    • 3-(p-tolylmercapto)-propionic acid
    • 3-(p-tolylsulfanyl)propanoic acid
    • 3-(p-Tolylthio)propionic acid
    • 3-[(4-methylphenyl)sulfanyl]propanoic acid
    • 3-p-Tolylmercapto-propionsaeure
    • F1900-0029
    • Einecs 237-311-8
    • Propanoic acid, 3-[(4-methylphenyl)thio]-
    • NSC64356
    • NS00024457
    • NSC 64356
    • AS-43454
    • Z56813260
    • 3-[(4-Methylphenyl)thio]propionic acid
    • 13739-35-0
    • J-007016
    • AKOS000114519
    • 3-(p-tolylthio)propanoicacid
    • HMS1399H20
    • ZRYGVBRPRKRFHJ-UHFFFAOYSA-N
    • NSC-64356
    • DTXSID20160170
    • 4-methoxy-quinoline
    • MFCD00094954
    • EN300-00047
    • Enamine_001934
    • 3-(4-methylthiophenoxy)-propionic acid
    • UNII-BUC5LW7DYL
    • BUC5LW7DYL
    • 3-((4-METHYLPHENYL)SULFANYL)PROPANOIC ACID
    • NCIOpen2_000016
    • SCHEMBL909499
    • 3-[(4-Methylphenyl)thio]propionic acid, 97%
    • 3-(p-tolylthio)propanoic acid
    • Propanoic acid, 3-((4-methylphenyl)thio)-
    • FT-0694666
    • STK862638
    • BBL002765
    • ALBB-019433
    • MDL： MFCD00094954
    • Inchi： 1S/C10H12O2S/c1-8-2-4-9(5-3-8)13-7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
    • InChI Key： ZRYGVBRPRKRFHJ-UHFFFAOYSA-N
    • SMILES： S(C1C=CC(C)=CC=1)CCC(=O)O

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: 4
  • Complexity: 162
  • 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
  • XLogP3: 2.3
  • Topological Polar Surface Area: 62.6?2

Experimental Properties

  • Melting Point: 67-71?°C (lit.)
  • PSA: 62.60000
  • LogP: 2.56180

3-[(4-methylphenyl)sulfanyl]propanoic acid Security Information

3-[(4-methylphenyl)sulfanyl]propanoic acid 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%

3-[(4-methylphenyl)sulfanyl]propanoic acid Pricemore >>

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