Cas no 133806-71-0 (Methyl 2-(3-mercaptophenyl)acetate)

Methyl 2-(3-mercaptophenyl)acetate structure
133806-71-0 structure
Product Name:Methyl 2-(3-mercaptophenyl)acetate
CAS No:133806-71-0
MF:C9H10O2S
MW:182.239501476288
CID:1084636
PubChem ID:14820216
Update Time:2025-04-20

Methyl 2-(3-mercaptophenyl)acetate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-(3-mercaptophenyl)acetate
    • Methyl (3-sulfanylphenyl)acetate
    • methyl 3-mercaptophenylacetate
    • 2-(3-mercaptophenyl)acetic acid
    • 3-Mercapto-benzeneacetic Acid
    • 3-MERCAPTOPHENYLA
    • 3-mercapto-phenylacetic acid
    • 3-Mercaptophenylacetic Acid
    • 3-Mercaptophenylacetic acid methyl ester
    • 3-Mercaptophenylessigsaeure
    • AC1MT0UP
    • CTK5B8397
    • methyl (3-mercaptophenyl)acetate
    • m-Mercaptophenyl-essigsaeure
    • SureCN40418
    • METHYL 2-(3-SULFANYLPHENYL)ACETATE
    • (3-Mercapto-phenyl)-acetic Acid Methyl Ester
    • XFBPQJQVVAADEG-UHFFFAOYSA-N
    • 133806-71-0
    • DB-297954
    • SCHEMBL2767776
    • Inchi: 1S/C9H10O2S/c1-11-9(10)6-7-3-2-4-8(12)5-7/h2-5,12H,6H2,1H3
    • InChI Key: XFBPQJQVVAADEG-UHFFFAOYSA-N
    • SMILES: SC1=CC=CC(=C1)CC(=O)OC

Computed Properties

  • Exact Mass: 182.04015073g/mol
  • Monoisotopic Mass: 182.04015073g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 159
  • 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: 27.3?2

Methyl 2-(3-mercaptophenyl)acetate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
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$110.00 2023-05-17
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