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3-Methyl-1-(2-Thioxo-1-Azepanyl)-3-Buten-1-One
[CAS# 125880-11-7]

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Identification
Name 3-Methyl-1-(2-Thioxo-1-Azepanyl)-3-Buten-1-One
Synonyms 3-methyl-1-(2-thioxoazepan-1-yl)but-3-en-1-one
Molecular Structure CAS#: 125880-11-7, 3-Methyl-1-(2-Thioxo-1-Azepanyl)-3-Buten-1-One
Molecular Formula C11H17NOS
Molecular Weight 211.32
CAS Registry Number 125880-11-7
SMILES CC(=C)CC(=O)N1CCCCCC1=S
InChI 1S/C11H17NOS/c1-9(2)8-10(13)12-7-5-3-4-6-11(12)14/h1,3-8H2,2H3
InChIKey KADPHUCQRVBGGT-UHFFFAOYSA-N
Properties
Density 1.079g/cm3 (Cal.)
Boiling point 300.803°C at 760 mmHg (Cal.)
Flash point 135.721°C (Cal.)
Refractive index 1.542 (Cal.)
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