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Molinate-Sulfoxide
[CAS# 52236-29-0]

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Identification
Name Molinate-Sulfoxide
Synonyms Azepan-1-Yl-Ethylsulfinyl-Methanone; 1-Azepanyl-Ethylsulfinylmethanone; 1-((Ethylsulfinyl)Carbonyl)Hexahydro-1H-Azepine
Molecular Structure CAS#: 52236-29-0, Molinate-Sulfoxide
Molecular Formula C9H17NO2S
Molecular Weight 203.30
CAS Registry Number 52236-29-0
SMILES C([S](C(=O)N1CCCCCC1)=O)C
InChI 1S/C9H17NO2S/c1-2-13(12)9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3
InChIKey AQZLABPGWGSAER-UHFFFAOYSA-N
Properties
Density 1.178g/cm3 (Cal.)
Boiling point 334.86°C at 760 mmHg (Cal.)
Flash point 156.318°C (Cal.)
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