Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Isothiazole, 5-phenyl- |
EINECS | N/A |
CAS No. | 1075-21-4 | Density | 1.173 g/cm3 |
PSA | 41.13000 | LogP | 2.81010 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H7NS | Boiling Point | 201.9 °C at 760 mmHg |
Molecular Weight | 161.227 | Flash Point | 71.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Phenylisothiazole;NSC 102320; |
Article Data | 6 |
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