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CS-W001157 4
Total: USD 88.00

4,4-Dimethylthiochroman

  • CAS No. 66165-06-8

  • Cat. No. CS-0015893
  • Purity≥97%
  • MDL No.MFCD09833433

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

4,4-Dimethylthiochroman|CS-0015893

Structure of 66165-06-8

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General Information

  • CAS No. 66165-06-8
  • Cat. No. CS-0015893
  • Purity ≥97%
  • MDL No. MFCD09833433
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄S
  • Molecular Weight 178.29
  • Synonym(s) 3,4-Dihydro-4,4-dimethyl-2H-1-benzothiopyran; 4,4-DIMETHYL-THIOCHROMAN
  • SMILES CC1(C)CCSC2=CC=CC=C12

Synthesis

  • Route1
    • (3-Methylbut-2-en-1-yl)(phenyl)sulfane|CS-0539241
      10276-04-7
    • ~77%
    • 4,4-Dimethylthiochroman|CS-0015893
      66165-06-8

    References

    • Waugh, Kristy M.; Berlin, K. Darrell; Ford, Warren T.; Holt, Elizabeth M.; Carrol, John P.; et al. Journal of Medicinal Chemistry, 1985 , vol. 28, # 1 p. 116 - 124
  • Route2
    • null|null
      91967-95-2
    • ~79%
    • 4,4-Dimethylthiochroman|CS-0015893
      66165-06-8

    References

    • Waugh, Kristy M.; Berlin, K. Darrell; Ford, Warren T.; Holt, Elizabeth M.; Carrol, John P.; et al. Journal of Medicinal Chemistry, 1985 , vol. 28, # 1 p. 116 - 124
  • Route3
    • null|null
      91587-25-6
    • ~45%
    • 4,4-Dimethylthiochroman|CS-0015893
      66165-06-8
    • null|null
      91587-26-7

    References

    • Dawson, Marcia I.; Hobbs, Peter D.; Derdzinski, Krzysztof; Chan, Rebecca L.-S.; Gruber, John; et al. Journal of Medicinal Chemistry, 1984 , vol. 27, # 11 p. 1516 - 1531

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.46
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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