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Home >> Chemical Listing >> Page 1645 >> 5-(4-Methylphenyl)-Isothiazole

5-(4-Methylphenyl)-Isothiazole
[CAS# 49602-75-7]

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Identification
Name 5-(4-Methylphenyl)-Isothiazole
Synonyms 5-(4-Methylphenyl)Isothiazole; Nsc111909
Molecular Structure CAS#: 49602-75-7, 5-(4-Methylphenyl)-Isothiazole
Molecular Formula C10H9NS
Molecular Weight 175.25
CAS Registry Number 49602-75-7
SMILES C1=CC(=CC=C1C2=CC=NS2)C
InChI 1S/C10H9NS/c1-8-2-4-9(5-3-8)10-6-7-11-12-10/h2-7H,1H3
InChIKey ADJHTLCNEAAILE-UHFFFAOYSA-N
Properties
Density 1.14g/cm3 (Cal.)
Boiling point 220.495°C at 760 mmHg (Cal.)
Flash point 80.642°C (Cal.)
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