Cas no 58980-52-2 (2-(2-hydroxyethyl)thiobenzoic Acid)

2-(2-hydroxyethyl)thiobenzoic Acid structure
58980-52-2 structure
Product Name:2-(2-hydroxyethyl)thiobenzoic Acid
CAS No:58980-52-2
MF:C9H10O3S
MW:198.238901615143
CID:949408
PubChem ID:289416
Update Time:2025-04-19

2-(2-hydroxyethyl)thiobenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • SureCN9658167; NSC151194; 2-[(2-hydroxyethyl)sulfanyl]benzoic acid; 2-(2-Hydroxy-aethylmercapto)-benzoesaeure; AR-1D5615; CTK5A9180; AC1L6BN3; AC1Q5UAT; 2-(2-hydroxyethylthio)benzoic acid; Oprea1_352327; 2-(2-hydroxy-ethylsulfanyl)-benzoic acid;
    • 2-(2-hydroxyethyl)thiobenzoic Acid
    • Z118461552
    • CS-0261515
    • 2-[(2-hydroxyethyl)thio]benzoic acid, AldrichCPR
    • G21982
    • DTXSID60302476
    • NSC151194
    • NSC-151194
    • 2-(2-hydroxyethylsulfanyl)benzoic acid
    • 2-[(2-hydroxyethyl)sulfanyl]benzoic acid
    • Oprea1_352327
    • MFCD00020273
    • AKOS000245615
    • EN300-78802
    • SCHEMBL9658167
    • 2-((2-Hydroxyethyl)thio)benzoic acid
    • 2-((2-Hydroxyethyl)thio)benzoicacid
    • 2-[(2-HYDROXYETHYL)THIO]BENZOIC ACID
    • SB85140
    • 58980-52-2
    • MDL: MFCD00020273
    • Inchi: 1S/C9H10O3S/c10-5-6-13-8-4-2-1-3-7(8)9(11)12/h1-4,10H,5-6H2,(H,11,12)
    • InChI Key: JCSPGCUGRGURES-UHFFFAOYSA-N
    • SMILES: S(CCO)C1C=CC=CC=1C(=O)O

Computed Properties

  • Exact Mass: 198.0351
  • Monoisotopic Mass: 198.035
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 172
  • 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: 1.3
  • Topological Polar Surface Area: 82.8?2

Experimental Properties

  • Density: 1.36
  • Boiling Point: 376.9°C at 760 mmHg
  • Flash Point: 181.7°C
  • Refractive Index: 1.632
  • PSA: 57.53
  • LogP: 1.46920

2-(2-hydroxyethyl)thiobenzoic Acid Pricemore >>

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