Cas no 1025-94-1 (2-(2-phenylethylsulfanyl)benzoic Acid)

2-(2-phenylethylsulfanyl)benzoic Acid structure
1025-94-1 structure
Product Name:2-(2-phenylethylsulfanyl)benzoic Acid
CAS No:1025-94-1
MF:C15H14O2S
MW:258.335463047028
CID:1133099
PubChem ID:12372645
Update Time:2025-04-20

2-(2-phenylethylsulfanyl)benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(2-phenylethylsulfanyl)benzoic Acid
    • 2-&lt
    • 2-Phenyl-aethylmercapto&gt
    • -benzoesaeure
    • CTK0D8983
    • Benzoic acid, 2-[(2-phenylethyl)thio]-
    • AG-C-39703
    • 2-[(2-phenylethyl)thio]-benzoic acid
    • 2-(2-Phenethylmercapto)benzoesaeure
    • 2-(phenethylthio)benzoic acid
    • AKOS000146638
    • o-(Phenethylthio)-benzoesaeure
    • 2-< 2-Phenyl-aethylmercapto> -benzoesaeure; CTK0D8983; Benzoic acid, 2-[(2-phenylethyl)thio]-; AG-C-39703; 2-[(2-phenylethyl)thio]-benzoic acid; 2-(2-Phenethylmercapto)benzoesaeure; 2-(phenethylthio)benzoic acid; AKOS000146638; o-(Phenethylthio)-benzoesaeure;
    • 1025-94-1
    • DTXSID00494920
    • 2-[(2-Phenylethyl)sulfanyl]benzoic acid
    • Inchi: 1S/C15H14O2S/c16-15(17)13-8-4-5-9-14(13)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17)
    • InChI Key: BAAPLKBZYLCPNA-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1C(=O)O)CCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 258.071451g/mol
  • Monoisotopic Mass: 258.071451g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 261
  • 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
  • Molecular Weight: 258.3g/mol
  • XLogP3: 3.9
  • Topological Polar Surface Area: 62.6?2
Recommended suppliers
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Henan Dongyan Pharmaceutical Co., Ltd
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zhangzhou Sinobioway Peptide Co.,Ltd.
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.