Cas no 18991-39-4 (Thiocyanic acid,(4-methylphenyl)methyl ester)

Thiocyanic acid,(4-methylphenyl)methyl ester structure
18991-39-4 structure
Product Name:Thiocyanic acid,(4-methylphenyl)methyl ester
CAS No:18991-39-4
MF:C9H9NS
MW:163.239460706711
MDL:MFCD09025707
CID:181430
PubChem ID:186039
Update Time:2025-04-19

Thiocyanic acid,(4-methylphenyl)methyl ester Chemical and Physical Properties

Names and Identifiers

    • Thiocyanic acid,(4-methylphenyl)methyl ester
    • 4-Methylbenzyl thiocyanate
    • 4-(Methylthio)phenylacetonitrile
    • 4-methyl-benzyl thiocyanate
    • 4-Methyl-benzylthiocyanat
    • AC1L4I07
    • AC1Q4SQA
    • AR-1L1366
    • CTK4E0259
    • p-methylbenzyl thiocyanate
    • p-Tolubenzylrhodanid
    • Thiocyansaeure-p-tolubenzylester
    • 4-Methylthiobenzyl cyanide
    • 1-Methyl-4-(thiocyanatomethyl)benzene
    • 1-Methyl-4-(thiocyanatomethyl)
    • SCHEMBL7939411
    • 4-methyl thio benzyl cyanide
    • METHYL4,4-BIPHENYL-R-ALANATE
    • CS-0036549
    • p-Xylylsulfocyanat
    • DTXSID60172419
    • {[(4-methylphenyl)methyl]sulfanyl}carbonitrile
    • AKOS006291308
    • thiocyanic acid (4-methylphenyl)methyl ester
    • A815625
    • FT-0682178
    • 18991-39-4
    • (4-methylphenyl)methyl thiocyanate
    • Thiocyanic acid, p-methylbenzyl ester
    • 4-Methylbenzyl thiocyate, 98%
    • MDL: MFCD09025707
    • Inchi: 1S/C9H9NS/c1-8-2-4-9(5-3-8)6-11-7-10/h2-5H,6H2,1H3
    • InChI Key: DFKZGPBKYUQGAY-UHFFFAOYSA-N
    • SMILES: S(C#N)CC1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 163.04567
  • 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: 2
  • Complexity: 150
  • 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: 2.4
  • Topological Polar Surface Area: 49.1A^2

Experimental Properties

  • Density: 1.119
  • Boiling Point: 275.5 °C at 760 mmHg
  • Flash Point: 120.4 °C
  • Refractive Index: 1.579
  • PSA: 23.79

Thiocyanic acid,(4-methylphenyl)methyl ester Security Information

  • HazardClass:IRRITANT

Thiocyanic acid,(4-methylphenyl)methyl ester Pricemore >>

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