CAS No.14527-46-9,5-NITRO-1,3-THIAZOLE 96 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14527-46-9
Name:	5-NITRO-1,3-THIAZOLE 96
Article Data:	4

Formula:	C₃H₂N₂O₂S
Molecular Weight:	130.127
Synonyms:	5-Nitrothiazole;
Density:	1.549 g/cm³
Melting Point:	55-57
Boiling Point:	250.5 °C at 760 mmHg
Flash Point:	105.3 °C
Hazard Symbols:	Xi
Risk Codes:	Xi:Irritant/Keep Cold; Xi:Irritant/Keep Cold;
PSA:	86.95000
LogP:	1.57450

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Specification

This chemical is called Thiazole, 5-nitro-, and its systematic name is 5-nitro-1,3-thiazole. With the molecular formula of C₃H₂N₂O₂S, its molecular weight is 130.13. The CAS registry number of this chemical is 14527-46-9. Additionally, its product categories are Blocks; NitroCompounds; Thiazoles. It should be kept cold.

Other characteristics of the Thiazole, 5-nitro- can be summarised as followings: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.48; (8)ACD/KOC (pH 7.4): 29.48; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 86.95 Å²; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 29.27 cm³; (15)Molar Volume: 83.9 cm³; (16)Polarizability: 11.6×10^-24cm³; (17)Surface Tension: 66.7 dyne/cm; (18)Density: 1.549 g/cm³; (19)Flash Point: 105.3 °C; (20)Enthalpy of Vaporization: 46.8 kJ/mol; (21)Boiling Point: 250.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0342 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1scnc1
2.InChI: InChI=1/C3H2N2O2S/c6-5(7)3-1-4-2-8-3/h1-2H
3.InChIKey: VVVCJCRUFSIVHI-UHFFFAOYAX