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CS-W001157 4
Total: USD 88.00

Isothiazol-4-ylmethanol

  • CAS No. 170283-02-0

  • Cat. No. CS-0378941
  • Molecule weight115.15
  • Purity95+%
  • MDL No.MFCD19688186

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

Isothiazol-4-ylmethanol|CS-0378941

Structure of 170283-02-0

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General Information

  • CAS No. 170283-02-0
  • Cat. No. CS-0378941
  • Purity 95+%
  • MDL No. MFCD19688186
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₅NOS
  • Molecular Weight 115.15
  • Synonym(s) (ISOTHIAZOL-4-YL)METHANOL
  • SMILES OCC1=CSN=C1

Synthesis

  • Route1

    References

    • PFIZER LIMITED Patent: US2008/103130 A1, 2008 ; Location in patent: Page/Page column 52 ; US 20080103130 A1
  • Route2
    • Methyl isothiazole-4-carboxylate|CS-0566902
      56133-37-0
    • ~%
    • Isothiazol-4-ylmethanol|CS-0378941
      170283-02-0

    References

    • McElhinney; Donnelly; McCormick; Kelly; Watson; Rafferty; Elder; Middleton; Willington; McMurry; Margison Journal of medicinal chemistry, 1998 , vol. 41, # 26 p. 5265 - 5271

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225-H302-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P405-P501

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Computational Chemistry Data

  • TPSA   33.12
  • LogP   0.6354
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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