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CS-W001157 4
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2,4-Xylenethiol

  • CAS No. 13616-82-5

  • Cat. No. CS-0010544
  • Purity≥97%
  • MDL No.MFCD00010019

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

2,4-Xylenethiol|CS-0010544

Structure of 13616-82-5

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General Information

  • CAS No. 13616-82-5
  • Cat. No. CS-0010544
  • Purity ≥97%
  • MDL No. MFCD00010019
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀S
  • Molecular Weight 138.23
  • Synonym(s) m-Xylene-4-thiol
  • SMILES SC1=CC=C(C)C=C1C

Description

The sum frequency generation (SFG) spectra for the C-H stretching vibrations of the methyl group in 2,4-dimethylbenzenethiol (test molecule) was studied.

Synthesis

  • Route1

    References

    • Uchiro, Hiromi; Kobayashi, Susumu Tetrahedron Letters, 1999 , vol. 40, # 16 p. 3179 - 3182
  • Route2
    • Sodium 2,4-dimethylbenzenesulfonate|CS-0699801
      827-21-4
    • ~64%
    • In-stock
      2,4-Xylenethiol|CS-0010544
      13616-82-5

    References

    • Oae, Shigeru; Togo, Hideo Bulletin of the Chemical Society of Japan, 1983 , vol. 56, # 12 p. 3802 - 3812
  • Route3
    • null|null
      89816-81-9
    • ~94%
    • In-stock
      2,4-Xylenethiol|CS-0010544
      13616-82-5

    References

    • Tedjamulia, Marvin L.; Tominaga, Yoshinori; Castle, Raymond N. Journal of Heterocyclic Chemistry, 1983 , vol. 20, p. 1485 - 1495

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Warning
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.59214
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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