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1,4-thiazepan-5-one
Weight131.2 g/mol
FormulaC5H9NOS
Hydrogen Acceptors2
Hydrogen Donors1
Aromatic Rings0
Rotatable Bonds0

1,4-thiazepan-5-one (2896-98-2)

2896-98-2

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Alternate Names

  • 2896-98-2
  • SMILES
    C1CSCCNC1=O
  • InChIKey
    YBUWZZKYXPWDGO-UHFFFAOYSA-N

Estimated Properties

Boiling Point 229.54 C EPA T.E.S.T.
Boiling Point 301.03 C EPI Suite
Density 1.09 g/cm3 EPA T.E.S.T.
Flash Point 124.87 C EPA T.E.S.T.
Melting Point 95.15 C EPI Suite
Water Solubility 14252.2 mg/L EPA T.E.S.T.
Water Solubility 688040 mg/L EPI Suite

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