Isothiazole, 5-phenyl- supplier

Name
5-PHENYLISOTHIAZOLE
EINECS
CAS No. 1075-21-4
Article Data6
CAS DataBase
Density 1.173 g/cm³
Solubility
Melting Point
Formula C₉H₇NS
Boiling Point 201.9 °C at 760 mmHg
Molecular Weight 161.227
Flash Point 71.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Phenylisothiazole;NSC 102320;
PSA 41.13000
LogP 2.81010

Isothiazole, 5-phenyl- Specification

The CAS register number of Isothiazole, 5-phenyl- is 1075-21-4. It also can be called as 5-Phenylisothiazole and the systematic name about this chemical is 5-phenyl-1,2-thiazole. The molecular formula about this chemical is C₉H₇NS and the molecular weight is 161.22.

Physical properties about Isothiazole, 5-phenyl- are: (1)ACD/LogP: 2.57; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 41.13 Å²; (5)Index of Refraction: 1.604; (6)Molar Refractivity: 47.32 cm³; (7)Molar Volume: 137.4 cm³; (8)Polarizability: 18.75x10^-24cm³; (9)Surface Tension: 46 dyne/cm; (10)Density: 1.173 g/cm³; (11)Flash Point: 71.9 °C; (12)Enthalpy of Vaporization: 42.02 kJ/mol; (13)Boiling Point: 201.9 °C at 760 mmHg; (14)Vapour Pressure: 0.428 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2sc(c1ccccc1)cc2
(2)InChI: InChI=1/C9H7NS/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H
(3)InChIKey: GCJTZGLHWFXNSS-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H
(5)Std. InChIKey: GCJTZGLHWFXNSS-UHFFFAOYSA-N

Product Name

5-PHENYLISOTHIAZOLE

Isothiazole, 5-phenyl- Specification

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