Cas no 88393-07-1 (Benzoic acid,4-[(phenylthio)methyl]-, methyl ester)

Benzoic acid,4-[(phenylthio)methyl]-, methyl ester structure
88393-07-1 structure
Product Name:Benzoic acid,4-[(phenylthio)methyl]-, methyl ester
CAS No:88393-07-1
MF:C15H14O2S
MW:258.335463047028
CID:709438
PubChem ID:366566
Update Time:2025-04-19

Benzoic acid,4-[(phenylthio)methyl]-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,4-[(phenylthio)methyl]-, methyl ester
    • methyl 4-(phenylsulfanylmethyl)benzoate
    • METHYL 4-[(PHENYLTHIO)METHYL]BENZOATE
    • 4-phenylsulfanylmethylbenzoic acid methyl ester
    • methyl 4[(phenylsulfanyl)methyl]benzoate
    • methyl p-<(phenylthio)methyl>benzoate
    • 4-phenylsulfanylmethylbenzoic acid methylester
    • NSC635192
    • AKOS001708963
    • SR-01000510041-1
    • NSC-635192
    • methyl 4-[(phenylsulfanyl)methyl]benzoate
    • SR-01000510041
    • W-205505
    • 4-(Phenylsulfanylmethyl)benzoic Acid Methyl Ester
    • methyl 4-(phenylthiomethyl)benzoate
    • SCHEMBL3916950
    • DTXSID40327147
    • RZFYMLIOQNVJHF-UHFFFAOYSA-N
    • 88393-07-1
    • Methyl 4-((phenylthio)methyl)benzoate
    • Inchi： 1S/C15H14O2S/c1-17-15(16)13-9-7-12(8-10-13)11-18-14-5-3-2-4-6-14/h2-10H,11H2,1H3
    • InChI Key： RZFYMLIOQNVJHF-UHFFFAOYSA-N
    • SMILES： S(C1C=CC=CC=1)CC1C=CC(C(=O)OC)=CC=1

Computed Properties

  • Exact Mass: 258.07100
  • Monoisotopic Mass: 258.07145086g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 253
  • 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: 4.1
  • Topological Polar Surface Area: 51.6?2

Experimental Properties

  • PSA: 51.60000
  • LogP: 3.76550

Benzoic acid,4-[(phenylthio)methyl]-, methyl ester 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%

Benzoic acid,4-[(phenylthio)methyl]-, methyl ester Related Literature

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