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Hexahydro-1-(Phenylthio)-2H-Azepin-2-One
[CAS# 36452-23-0]

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Identification
Name Hexahydro-1-(Phenylthio)-2H-Azepin-2-One
Synonyms 1-(Phenylthio)-2-Azepanone; 1-(Phenylthio)Azepan-2-One; 1-Phenylsulfanyl-Azepan-2-One
Molecular Structure CAS#: 36452-23-0, Hexahydro-1-(Phenylthio)-2H-Azepin-2-One
Molecular Formula C12H15NOS
Molecular Weight 221.32
CAS Registry Number 36452-23-0
EINECS 253-045-5
SMILES C2=C(SN1C(=O)CCCCC1)C=CC=C2
InChI 1S/C12H15NOS/c14-12-9-5-2-6-10-13(12)15-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey HVIHQLGJOGGHSI-UHFFFAOYSA-N
Properties
Density 1.18g/cm3 (Cal.)
Boiling point 343.377°C at 760 mmHg (Cal.)
Flash point 161.469°C (Cal.)
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