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CS-W001157 4
Total: USD 88.00

1-Benzyl-3-(2-methylallyl)thiourea

  • CAS No. 21018-39-3

  • Cat. No. CS-0550961
  • Purity≥98%
  • MDL No.None

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

1-Benzyl-3-(2-methylallyl)thiourea|CS-0550961

Structure of 21018-39-3

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General Information

  • CAS No. 21018-39-3
  • Cat. No. CS-0550961
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆N₂S
  • Molecular Weight 220.33
  • Synonym(s) Thiourea, N-(2-methyl-2-propenyl)-N'-(phenylmethyl)-
  • SMILES CC(=C)CNC(=S)NCC1=CC=CC=C1

Synthesis

  • Route1
    • null|null
      1458-98-6
    • null|null
      333-20-0
    • null|null
      2182-52-7
    • ~75%
    • 1-Benzyl-3-(2-methylallyl)thiourea|CS-0550961
      21018-39-3

    References

    • Aoyama, Tadashi; Murata, Sumiko; Nagata, Yasutaka; Takido, Toshio; Kodomari, Mitsuo Tetrahedron Letters, 2005 , vol. 46, # 29 p. 4875 - 4878
  • Route2
    • null|null
      41834-90-6
    • null|null
      100-46-9
    • ~87%
    • 1-Benzyl-3-(2-methylallyl)thiourea|CS-0550961
      21018-39-3

    References

    • Richter, C.; Klatt, K.; Feuerer, A.; Schulze, K. Journal fuer Praktische Chemie/Chemiker-Zeitung, 1992 , vol. 334, # 1 p. 60 - 66

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   24.06
  • LogP   2.2268
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   4

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