Cas no 852180-41-7 (4-(3-isocyanatophenyl)-2-methyl-1,3-thiazole)

4-(3-isocyanatophenyl)-2-methyl-1,3-thiazole structure
852180-41-7 structure
Product Name:4-(3-isocyanatophenyl)-2-methyl-1,3-thiazole
CAS No:852180-41-7
MF:C11H8N2OS
MW:216.259020805359
CID:717116
PubChem ID:4961261
Update Time:2025-04-19

4-(3-isocyanatophenyl)-2-methyl-1,3-thiazole Chemical and Physical Properties

Names and Identifiers

    • Thiazole,4-(3-isocyanatophenyl)-2-methyl-
    • 4-(3-Isocyanatophenyl)-2-methyl-1,3-thiazole
    • 4-(3-isocyanatophenyl)-2-methyl-1,3-thiazole
    • Inchi: 1S/C11H8N2OS/c1-8-13-11(6-15-8)9-3-2-4-10(5-9)12-7-14/h2-6H,1H3
    • InChI Key: FGXXZVGMPBZEBB-UHFFFAOYSA-N
    • SMILES: S1C(C)=NC(=C1)C1C=CC=C(C=1)N=C=O

Computed Properties

  • Exact Mass: 216.03600
  • Monoisotopic Mass: 216.03573406g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 265
  • 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: 3.8
  • Topological Polar Surface Area: 70.6?2

Experimental Properties

  • Density: 1.25
  • Boiling Point: 365.2°C at 760 mmHg
  • Flash Point: 174.7°C
  • Refractive Index: 1.645
  • PSA: 70.56000
  • LogP: 3.08580

4-(3-isocyanatophenyl)-2-methyl-1,3-thiazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
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