1,4-Thiazepan-5-One
[CAS# 2896-98-2]

Identification

• Name: 1,4-Thiazepan-5-One
• Synonyms: Nsc144313
• Molecular Formula: C₅H₉NOS
• Molecular Weight: 131.19
• CAS Registry Number: 2896-98-2
• SMILES: O=C1NCCSCC1
• InChI: 1S/C5H9NOS/c7-5-1-3-8-4-2-6-5/h1-4H2,(H,6,7)
• InChIKey: YBUWZZKYXPWDGO-UHFFFAOYSA-N

Properties

• Density: 1.129g/cm³ (Cal.)
• Boiling point: 347.397°C at 760 mmHg (Cal.)
• Flash point: 163.9°C (Cal.)

References

• (1): Xiaoru WangThese authors contributed equally to this work., Lin Du, Jianlan You, Jarrod B. King and Robert H. Cichewicz. Fungal biofilm inhibitors from a human oral microbiome-derived bacterium, Org. Biomol. Chem., 2012, 10, 2044.