1H-Imidazole,1-methyl-4-nitro-5-(phenylthio)- supplier

Name
1-methyl-4-nitro-5-(phenylsulfanyl)-1H-imidazole
EINECS
CAS No. 80812-44-8
Article Data2
CAS DataBase
Density 1.37 g/cm³
Solubility
Melting Point
Formula C₁₀H₉N₃O₂S
Boiling Point 427.7 °C at 760 mmHg
Molecular Weight 235.26
Flash Point 212.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Imidazole, 1-methyl-4-nitro-5-(phenylthio)-(6CI);1-Methyl-4-nitro-5-(phenylthio)imidazole;NSC 76245;RSU 3045;1-Methyl-4-nitro-5-(phenylsulfanyl)-1H-imidazole;
PSA
LogP

1H-Imidazole,1-methyl-4-nitro-5-(phenylthio)- Specification

The 1H-Imidazole,1-methyl-4-nitro-5-(phenylthio)-, with the CAS registry number 80812-44-8, is also known as 1-Methyl-4-nitro-5-(phenylthio)imidazole. This chemical's molecular formula is C₁₀H₉N₃O₂S and molecular weight is 235.26. What's more, its systematic name is 1-methyl-4-nitro-5-(phenylsulfanyl)-1H-imidazole.

Physical properties of 1H-Imidazole,1-methyl-4-nitro-5-(phenylthio)- are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 88.94 Å²; (7)Index of Refraction: 1.668; (8)Molar Refractivity: 63.82 cm³; (9)Molar Volume: 171 cm³; (10)Polarizability: 25.3×10^-24cm³; (11)Surface Tension: 58 dyne/cm; (12)Density: 1.37 g/cm³; (13)Flash Point: 212.5 °C; (14)Enthalpy of Vaporization: 65.63 kJ/mol; (15)Boiling Point: 427.7 °C at 760 mmHg; (16)Vapour Pressure: 4E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ncn(c2Sc1ccccc1)C
(2)InChI: InChI=1S/C10H9N3O2S/c1-12-7-11-9(13(14)15)10(12)16-8-5-3-2-4-6-8/h2-7H,1H3
(3)InChIKey: JSTDAVYXINFTFX-UHFFFAOYSA-N

Product Name

1-methyl-4-nitro-5-(phenylsulfanyl)-1H-imidazole

1H-Imidazole,1-methyl-4-nitro-5-(phenylthio)- Specification

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