Cas no 59834-05-8 (4-(1,2,3-Thiadiazol-4-yl)phenol)

4-(1,2,3-Thiadiazol-4-yl)phenol is a heterocyclic compound featuring a phenol group linked to a 1,2,3-thiadiazole ring. This structure imparts unique chemical properties, making it valuable in synthetic organic chemistry and agrochemical research. The thiadiazole moiety enhances reactivity and stability, while the phenolic group allows for further functionalization, enabling applications in ligand design and intermediate synthesis. Its distinct electronic and steric characteristics make it suitable for studying structure-activity relationships in bioactive molecules. The compound is particularly relevant in the development of pesticides and pharmaceuticals due to its potential as a scaffold for biologically active derivatives. High purity and well-defined synthesis routes ensure reproducibility for research and industrial applications.
4-(1,2,3-Thiadiazol-4-yl)phenol structure
59834-05-8 structure
Product Name:4-(1,2,3-Thiadiazol-4-yl)phenol
CAS No:59834-05-8
MF:C8H6N2OS
MW:178.211040019989
MDL:MFCD00052106
CID:367208
PubChem ID:2796860
Update Time:2025-06-09

4-(1,2,3-Thiadiazol-4-yl)phenol Chemical and Physical Properties

Names and Identifiers

    • 4-(1,2,3-Thiadiazol-4-yl)phenol
    • Phenol,4-(1,2,3-thiadiazol-4-yl)-
    • 4-(thiadiazol-4-yl)phenol
    • AKOS006229403
    • 4-(4-Hydroxyphenyl)-1,2,3-thiadiazole
    • DTXSID90383859
    • 4-(1,2,3-thiadiazol-4-yl)-phenol
    • SCHEMBL1673852
    • 4-(4-hydroxyphenyl)1,2,3-thiadiazole
    • WZYGGUZFRLVCJT-UHFFFAOYSA-N
    • FT-0616446
    • 4-(4-hydroxyphenyl)1,2,3-thia-diazole
    • 4-[1,2,3]-thiadiazol-4-yl-phenol
    • 10L-018
    • A832494
    • Bionet2_000865
    • MFCD00052106
    • 4-(4-thiadiazolyl)phenol
    • 4-[1,2,3]thiadiazol-4-yl-phenol
    • Z1201618245
    • F2145-0454
    • 59834-05-8
    • HMS1366H07
    • CS-0222377
    • EN300-110983
    • MDL： MFCD00052106
    • Inchi： 1S/C8H6N2OS/c11-7-3-1-6(2-4-7)8-5-12-10-9-8/h1-5,11H
    • InChI Key： WZYGGUZFRLVCJT-UHFFFAOYSA-N
    • SMILES： S1C=C(C2C=CC(=CC=2)O)N=N1

Computed Properties

  • Exact Mass: 178.02000
  • Monoisotopic Mass: 178.02
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 148
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: nothing
  • Topological Polar Surface Area: 74.2A^2

Experimental Properties

  • Density: 1.380±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 105/0.75mm
  • Flash Point: 162.2°C
  • Refractive Index: 1.653
  • Solubility: Slightly soluble (3.9 g/l) (25 o C),
  • PSA: 74.25000
  • LogP: 1.91070

4-(1,2,3-Thiadiazol-4-yl)phenol Security Information

4-(1,2,3-Thiadiazol-4-yl)phenol Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-(1,2,3-Thiadiazol-4-yl)phenol Pricemore >>

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