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CS-W001157 4
Total: USD 88.00

2-(Isopropylthio)aniline

  • CAS No. 6397-33-7

  • Cat. No. CS-0010400
  • Purity≥96%
  • MDL No.MFCD08691961

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

2-(Isopropylthio)aniline|CS-0010400

Structure of 6397-33-7

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General Information

  • CAS No. 6397-33-7
  • Cat. No. CS-0010400
  • Purity ≥96%
  • MDL No. MFCD08691961
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃NS
  • Molecular Weight 167.27
  • Synonym(s) UKRORGSYN-BB BBV-072741
  • SMILES NC1=C(SC(C)C)C=CC=C1

Synthesis

  • Route1
    • null|null
      75-30-9
    • null|null
      137-07-5
    • ~57%
    • In-stock
      2-(Isopropylthio)aniline|CS-0010400
      6397-33-7

    References

    • Hodson, Stephen J.; Bishop, Michael J.; Speake, Jason D.; Navas III, Frank; Garrison, Deanna T.; Bigham, Eric C.; Saussy Jr., David L.; Liacos, James A.; Irving, Paul E.; Jeffrey Gobel; Sherman, Bryan W. Journal of Medicinal Chemistry, 2002 , vol. 45, # 11 p. 2229 - 2239
  • Route2
    • null|null
      137-07-5
    • null|null
      75-26-3
    • ~%
    • In-stock
      2-(Isopropylthio)aniline|CS-0010400
      6397-33-7

    References

    • E. I. Du Pont de Nemours and Company Patent: US4818277 A1, 1989 ;
  • Route3
    • null|null
      1551-21-9
    • null|null
      622-37-7
    • ~53%
    • In-stock
      2-(Isopropylthio)aniline|CS-0010400
      6397-33-7

    References

    • Takeuchi, Hiroshi; Hirayama, Shinji; Mitani, Michiharu; Koyama, Kikuhiko Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1988 , p. 521 - 528

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.7693
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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