Cas no 15446-15-8 (Acetic acid,2-[(4-chlorophenyl)thio]-, methyl ester)

Acetic acid,2-[(4-chlorophenyl)thio]-, methyl ester structure
15446-15-8 structure
Product Name:Acetic acid,2-[(4-chlorophenyl)thio]-, methyl ester
CAS No:15446-15-8
MF:C9H9ClO2S
MW:216.684560537338
CID:152025
PubChem ID:246210
Update Time:2025-04-19

Acetic acid,2-[(4-chlorophenyl)thio]-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Acetic acid,2-[(4-chlorophenyl)thio]-, methyl ester
    • methyl 2-(4-chlorophenyl)sulfanylacetate
    • METHYL 2-(4-CHLOROPHENYLTHIO)ACETATE
    • methyl 2-[(4-chlorophenyl)thio]acetate
    • methyl 4-chlorophenylthioacetate
    • NSC-58868
    • AKOS008909427
    • Methyl2-(4-chlorophenylthio)acetate
    • SCHEMBL15549840
    • NSC58868
    • DTXSID40934991
    • Methyl [(4-chlorophenyl)sulfanyl]acetate
    • METHYL 2-[(4-CHLOROPHENYL)SULFANYL]ACETATE
    • 15446-15-8
    • MDL： MFCD00018665
    • Inchi： 1S/C9H9ClO2S/c1-12-9(11)6-13-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3
    • InChI Key： LBSLGCXURMKUAO-UHFFFAOYSA-N
    • SMILES： ClC1C=CC(=CC=1)SCC(=O)OC

Computed Properties

  • Exact Mass: 216.00100
  • Monoisotopic Mass: 216.0011784g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 167
  • 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: 3
  • Topological Polar Surface Area: 51.6?2

Experimental Properties

  • PSA: 51.60000
  • LogP: 2.60510

Acetic acid,2-[(4-chlorophenyl)thio]-, methyl ester Pricemore >>

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