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CS-W001157 4
Total: USD 88.00

Tetrahydro-1,4-thiazepan-5-one

  • CAS No. 2896-98-2

  • Cat. No. CS-0045647
  • Purity≥97%
  • MDL No.MFCD11111966

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

Tetrahydro-1,4-thiazepan-5-one|CS-0045647

Structure of 2896-98-2

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General Information

  • CAS No. 2896-98-2
  • Cat. No. CS-0045647
  • Purity ≥97%
  • MDL No. MFCD11111966
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₉NOS
  • Molecular Weight 131.20
  • Synonym(s) 1,4-Thiazepan-5-one
  • SMILES O=C1NCCSCC1

Synthesis

  • Route1

    References

    • Takeda Chemical Industries, Ltd. Patent: EP1486490 A1, 2004 ; Location in patent: Page 46 ;
  • Route2

    References

    • Merck and Co., Inc. Patent: US6043358 A1, 2000 ;
  • Route3

    References

    • Pharmacia and Upjohn Company Patent: US6248739 B1, 2001 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS09
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   0.2395
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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