Cas no 19241-15-7 (2,5-Dimethylphenyl isothiocyanate)

2,5-Dimethylphenyl isothiocyanate is an organic compound characterized by the presence of an isothiocyanate functional group attached to a 2,5-dimethylphenyl moiety. This reagent is commonly employed in synthetic chemistry for the preparation of thiourea derivatives and other sulfur-containing compounds, owing to its high reactivity with amines and nucleophiles. Its well-defined structure and stability under standard conditions make it a reliable intermediate for pharmaceutical and agrochemical research. The compound's purity and consistent performance are critical for applications requiring precise molecular modifications. Proper handling is advised due to its potential lachrymatory properties and sensitivity to moisture.
2,5-Dimethylphenyl isothiocyanate structure
19241-15-7 structure
Product Name:2,5-Dimethylphenyl isothiocyanate
CAS No:19241-15-7
MF:C9H9NS
MW:163.239460706711
MDL:MFCD00046798
CID:173579
PubChem ID:140499
Update Time:2025-08-05

2,5-Dimethylphenyl isothiocyanate Chemical and Physical Properties

Names and Identifiers

    • Benzene,2-isothiocyanato-1,4-dimethyl-
    • 2-isothiocyanato-1,4-dimethylbenzene
    • AKOS B016335
    • ART-CHEM-BB B016335
    • 2,5-DIMETHYLPHENYL ISOTHIOCYANATE
    • 2,5-Dimethylisothiocyanatobenzene
    • 2,5-Dimethylphenyl isothiocyate, 99%
    • 2-Isothiocyanato-1,4-dimethylbenzene #
    • 2,5-DIMETHYLPHENylisoTHIOCYANATE
    • Benzene, 2-isothiocyanato-1,4-dimethyl-
    • 2,5-xylyl isothiocyanate
    • DTXSID30172825
    • FT-0610472
    • SCHEMBL191588
    • MS-21996
    • MFCD00046798
    • AKOS000306180
    • EN300-01226
    • J-802057
    • F0001-2332
    • 2-isothiocyanato-1,4-dimethyl-benzene
    • A813565
    • 2,5-dimethylphenyl-isothiocyanate
    • 19241-15-7
    • A813554
    • STK397852
    • DTXCID2095316
    • G64736
    • DB-020130
    • 2,5-Dimethylphenyl isothiocyanate
    • MDL: MFCD00046798
    • Inchi: 1S/C9H9NS/c1-7-3-4-8(2)9(5-7)10-6-11/h3-5H,1-2H3
    • InChI Key: RCBXZRJVMSWGAO-UHFFFAOYSA-N
    • SMILES: S=C=NC1C=C(C)C=CC=1C

Computed Properties

  • Exact Mass: 163.04600
  • Monoisotopic Mass: 163.046
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4.1
  • Topological Polar Surface Area: 44.4A^2

Experimental Properties

  • Color/Form: Uncertain
  • Density: 1.08
  • Boiling Point: 120 °C
  • Flash Point: 121.2°C
  • Refractive Index: 1.554
  • PSA: 44.45000
  • LogP: 3.03770
  • Solubility: Uncertain

2,5-Dimethylphenyl isothiocyanate Security Information

  • Hazardous Material Identification: Xi C
  • HazardClass:IRRITANT, CORROSIVE

2,5-Dimethylphenyl isothiocyanate Pricemore >>

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