4-Methyl-3-nitro-2-thiophenamine supplier

Name
2-Thiophenamine, 4-methyl-3-nitro-
EINECS
CAS No. 80313-10-6
Density 1.447 g/cm³
Solubility
Melting Point
Formula C₅H₆N₂O₂S
Boiling Point 317.993 °C at 760 mmHg
Molecular Weight 158.18
Flash Point 146.117 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Thiophenamine, 4-methyl-3-nitro-
PSA 100.08000
LogP 2.65130

4-Methyl-3-nitro-2-thiophenamine Specification

The 4-Methyl-3-nitro-2-thiophenamine, with the CAS registry number 80313-10-6, is also known as 2-Thiophenamine, 4-methyl-3-nitro-. This chemical's molecular formula is C₅H₆N₂O₂S and molecular weight is 158.18. What's more, its systematic name is 4-Methyl-3-nitro-2-thiophenamine.

Physical properties of 4-Methyl-3-nitro-2-thiophenamine are: (1)ACD/LogP: 2.558; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 51.78; (6)ACD/BCF (pH 7.4): 51.78; (7)ACD/KOC (pH 5.5): 586.95; (8)ACD/KOC (pH 7.4): 586.95; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 100.08 Å²; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 40.244 cm³; (15)Molar Volume: 109.31 cm³; (16)Polarizability: 15.954×10^-24cm³; (17)Surface Tension: 64.2 dyne/cm; (18)Density: 1.447 g/cm³; (19)Flash Point: 146.117 °C; (20)Enthalpy of Vaporization: 55.945 kJ/mol; (21)Boiling Point: 317.993 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1csc(c1[N+](=O)[O-])N
(2)Std. InChI: InChI=1S/C5H6N2O2S/c1-3-2-10-5(6)4(3)7(8)9/h2H,6H2,1H3
(3)Std. InChIKey: ONSRETHCXZVXRB-UHFFFAOYSA-N

Product Name

2-Thiophenamine, 4-methyl-3-nitro-

4-Methyl-3-nitro-2-thiophenamine Specification

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