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CS-W001157 4
Total: USD 88.00

[(3-aminopropyl)sulfanyl]benzene hydrochloride

  • CAS No. 78540-47-3

  • Cat. No. CS-0221274
  • Molecule weight203.73
  • Purity≥95%
  • MDL No.None

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

[(3-aminopropyl)sulfanyl]benzene hydrochloride|CS-0221274

Structure of 78540-47-3

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General Information

  • CAS No. 78540-47-3
  • Cat. No. CS-0221274
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄ClNS
  • Molecular Weight 203.73
  • Synonym(s) 3-(PHENYLTHIO)PROPAN-1-AMINE HYDROCHLORIDE
  • SMILES NCCCSC1=CC=CC=C1.[H]Cl

Synthesis

  • Route1
    • null|null
      106118-85-8
    • ~%
    • [(3-aminopropyl)sulfanyl]benzene hydrochloride|CS-0221274
      78540-47-3

    References

    • Merck and Co., Inc. Patent: US6387911 B1, 2002 ; US 6387911 B1
  • Route2

    References

    • Nair, M. D.; David, J.; Nagarajan, K. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1985 , vol. 24, p. 940 - 947

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.5493
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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