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CS-W001157 4
Total: USD 88.00

P-tolylmethanethiol

  • CAS No. 4498-99-1

  • Cat. No. CS-0281345
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

P-tolylmethanethiol|CS-0281345

Structure of 4498-99-1

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General Information

  • CAS No. 4498-99-1
  • Cat. No. CS-0281345
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀S
  • Molecular Weight 138.23
  • Synonym(s) α-Mercapto-p-xylene
  • SMILES CC1=CC=C(C=C1)CS

Synthesis

  • Route1
    • null|null
      104-81-4
    • ~77%
    • P-tolylmethanethiol|CS-0281345
      4498-99-1

    References

    • Molina, P.; Alajarin, M.; Vilaplana, M. J.; Katritzky, A. R. Tetrahedron Letters, 1985 , vol. 26, # 4 p. 469 - 472
  • Route2
    • null|null
      60410-77-7
    • ~82%
    • P-tolylmethanethiol|CS-0281345
      4498-99-1

    References

    • Kato, Shinzi; Shibahashi, Hiroshi; Katada, Tomonori; Takagi, Takashi; Noda, Ippei; et al. Liebigs Annalen der Chemie, 1982 , # 7 p. 1229 - 1244
  • Route3
    • null|null
      224043-70-3
    • ~%
    • P-tolylmethanethiol|CS-0281345
      4498-99-1

    References

    • Nakamura, Tohru; Matsumoto, Mutsuyoshi Synthetic Communications, 1999 , vol. 29, # 2 p. 201 - 210

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.42482
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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