Cas no 3406-77-7 (2-(4-methoxyphenyl)sulfanylacetic acid)

2-(4-Methoxyphenyl)sulfanylacetic acid is a sulfur-containing aromatic carboxylic acid derivative characterized by the presence of a methoxy-substituted phenylthio group. This compound is of interest in organic synthesis and pharmaceutical research due to its potential as a versatile intermediate. The methoxy group enhances electron density, influencing reactivity in nucleophilic or electrophilic substitution reactions. Its thioether linkage and carboxylic acid functionality allow for further derivatization, making it useful in the preparation of more complex molecules. The compound’s structural features may also contribute to applications in medicinal chemistry, particularly in the design of bioactive molecules. Its stability under standard conditions facilitates handling and storage.
2-(4-methoxyphenyl)sulfanylacetic acid structure
3406-77-7 structure
Product Name:2-(4-methoxyphenyl)sulfanylacetic acid
CAS No:3406-77-7
MF:C9H10O3S
MW:198.238901615143
MDL:MFCD00570562
CID:314919
PubChem ID:813570
Update Time:2025-10-12

2-(4-methoxyphenyl)sulfanylacetic acid Chemical and Physical Properties

Names and Identifiers

    • Acetic acid,2-[(4-methoxyphenyl)thio]-
    • (4-METHOXYPHENYL)THIO]ACETIC ACID
    • 2-((4-Methoxyphenyl)thio)acetic acid
    • [(4-Methoxyphenyl)sulfanyl]acetic acid
    • 2-(4-methoxyphenyl)sulfanylacetic acid
    • Z56770877
    • SCHEMBL4255888
    • 2-[(4-methoxyphenyl)sulfanyl]acetic acid
    • AKOS000264597
    • MFCD00570562
    • WPRFIGTZKOUYRL-UHFFFAOYSA-N
    • E86007
    • Enamine_000580
    • 3406-77-7
    • F2145-0099
    • (4-METHOXYPHENYL)THIO]ACETICACID
    • (4-Methoxy-phenylsulfanyl)-acetic acid
    • HMS1395K08
    • EN300-12995
    • 2-((4-methoxyphenyl)thio)aceticacid
    • [(4-methoxyphenyl)thio]acetic acid
    • acetic acid, 2-(4-methoxyphenyl)thio-
    • MDL: MFCD00570562
    • Inchi: 1S/C9H10O3S/c1-12-7-2-4-8(5-3-7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
    • InChI Key: WPRFIGTZKOUYRL-UHFFFAOYSA-N
    • SMILES: S(CC(=O)O)C1C=CC(=CC=1)OC

Computed Properties

  • Exact Mass: 197.02700
  • Monoisotopic Mass: 198.03506535g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 164
  • 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: 1.9
  • Topological Polar Surface Area: 71.8?2

Experimental Properties

  • PSA: 74.66000
  • LogP: 0.53720

2-(4-methoxyphenyl)sulfanylacetic 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%

2-(4-methoxyphenyl)sulfanylacetic acid Pricemore >>

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