Cas no 52772-11-9 (Benzenecarbothioicacid, S-(2-hydroxyethyl) ester)

Benzenecarbothioicacid, S-(2-hydroxyethyl) ester structure
52772-11-9 structure
Product Name:Benzenecarbothioicacid, S-(2-hydroxyethyl) ester
CAS No:52772-11-9
MF:C9H10O2S
MW:182.239501476288
CID:366796
PubChem ID:14944839
Update Time:2025-04-19

Benzenecarbothioicacid, S-(2-hydroxyethyl) ester Chemical and Physical Properties

Names and Identifiers

    • Benzenecarbothioicacid, S-(2-hydroxyethyl) ester
    • Ethyl thiosalicylate
    • 2-(S-benzoylthio)ethanol
    • 2-hydroxyethyl benzothioate
    • S-(2-hydroxyethyl)thiobenzoate
    • S-2-Hydroxyethyl benzenecarbothioate
    • Thiobenzoesaeure-S-(2-hydroxy-aethylester)
    • thiobenzoic acid S-(2-hydroxy-ethyl ester)
    • Benzenecarbothioic acid S-(2-hydroxyethyl) ester
    • SCHEMBL6830395
    • A829249
    • 52772-11-9
    • S-(2-Hydroxyethyl) benzothioate
    • Inchi: 1S/C9H10O2S/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5,10H,6-7H2
    • InChI Key: BDVZDPDXDIESQE-UHFFFAOYSA-N
    • SMILES: S(C(C1C=CC=CC=1)=O)CCO

Computed Properties

  • Exact Mass: 182.04000
  • 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: 4
  • Complexity: 142
  • 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: 1.6
  • Topological Polar Surface Area: 62.6?2

Experimental Properties

  • Density: 1.209
  • Boiling Point: 298 oC
  • Flash Point: 134 oC
  • Refractive Index: 1.5942
  • PSA: 62.60000
  • LogP: 2.28550

Benzenecarbothioicacid, S-(2-hydroxyethyl) 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%

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