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Thiochroman-4-One
[CAS# 3528-17-4]

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Identification
Name Thiochroman-4-One
Synonyms 4-Thiochromanone; 2,3-Dihydro-4H-Thiochromen-4-One; Inchi=1/C9h8os/C10-8-5-6-11-9-4-2-1-3-7(8)9/H1-4H,5-6H
Molecular Structure CAS#: 3528-17-4, Thiochroman-4-One
Molecular Formula C9H8OS
Molecular Weight 164.22
CAS Registry Number 3528-17-4
EINECS 222-548-1
SMILES C1=CC=CC2=C1SCCC2=O
InChI 1S/C9H8OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2
InChIKey CVQSWZMJOGOPAV-UHFFFAOYSA-N
Properties
Density 1.242g/cm3 (Cal.)
Boiling point 293.695°C at 760 mmHg (Cal.)
Flash point 154.891°C (Cal.)
Safety Data
SDS Available
References
(1) Vishnu Ji Ram, Nidhi Agarwal, Abhishek S. Saxena, Farhanullah , Ashoke Sharon and Prakas R. MaulikFor crystallographic queries.. Carbanion induced synthesis of annulated unsymmetrical biaryls through ring transformation of 2H-pyran-2-one, J. Chem. Soc., Perkin Trans. 1, 2002, 0, 1426.
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