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2-Mercapto-3-Phenyl-3,5,6,7,8,9-Hexahydro-10-Thia-1,3-Diaza-Benzo[a]Azulen-4-One
[CAS# 59898-71-4]

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Identification
Name 2-Mercapto-3-Phenyl-3,5,6,7,8,9-Hexahydro-10-Thia-1,3-Diaza-Benzo[a]Azulen-4-One
Synonyms Zinc00091719; Oprea1_185854; Zinc00447814
Molecular Structure CAS#: 59898-71-4, 2-Mercapto-3-Phenyl-3,5,6,7,8,9-Hexahydro-10-Thia-1,3-Diaza-Benzo[a]Azulen-4-One
Molecular Formula C17H16N2OS2
Molecular Weight 328.45
CAS Registry Number 59898-71-4
SMILES C4=C(N1C(C2=C(NC1=S)SC3=C2CCCCC3)=O)C=CC=C4
InChI 1S/C17H16N2OS2/c20-16-14-12-9-5-2-6-10-13(12)22-15(14)18-17(21)19(16)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,18,21)
InChIKey ZCPNPFBDYUPJBH-UHFFFAOYSA-N
Properties
Density 1.414g/cm3 (Cal.)
Boiling point 532.048°C at 760 mmHg (Cal.)
Flash point 275.573°C (Cal.)
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