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2-Isothiochroman-4-One
[CAS# 4426-76-0]

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Identification
Name 2-Isothiochroman-4-One
Synonyms 4-Isothiochromanone; 2-Isothiochroman-4-One; 1H-2-Benzothiopyran-4(3H)-One (9Ci)
Molecular Formula C9H8OS
Molecular Weight 164.22
CAS Registry Number 4426-76-0
SMILES C1=CC=CC2=C1CSCC2=O
InChI 1S/C9H8OS/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
InChIKey WXGFRIMZEZRKFH-UHFFFAOYSA-N
Properties
Density 1.2±0.1g/cm3 (Cal.)
Melting point 56-59°C (Expl.)
Boiling point 315.1±31.0°C at 760 mmHg (Cal.)
Flash point 173.3±10.5°C (Cal.)
Safety Data
Safety Description CAUTION: May irritate eyes, skin, and respiratory tract
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