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

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Identification
Name 1,4-Thiazepan-5-One
Synonyms Nsc144313
Molecular Structure CAS#: 2896-98-2, 1,4-Thiazepan-5-One
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.)
Safety Data
SDS Available
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.
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