[1,2,4]Triazolo[4,3-a]quinoline-1(2H)-thione, 5-methyl- supplier

Name
5-METHYL-[1,2,4]TRIAZOLO[4,3-A]QUINOLINE-1-THIOL
EINECS
CAS No. 35359-27-4
Density 1.41 g/cm³
Solubility
Melting Point >250℃
Formula C₁₁H₉N₃S
Boiling Point 318.6 °C at 760 mmHg
Molecular Weight 215.279
Flash Point 146.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms s-Triazolo[4,3-a]quinoline-1-thiol,5-methyl- (6CI);5-Methyl-s-triazolo[4,3-a]quinoline-1-thiol;
PSA 68.99000
LogP 2.47960

[1,2,4]Triazolo[4,3-a]quinoline-1(2H)-thione, 5-methyl- Specification

This chemical is called [1,2,4]Triazolo[4,3-a]quinoline-1(2H)-thione, 5-methyl-, and its systematic name is 5-methyl[1,2,4]triazolo[4,3-a]quinoline-1(2H)-thione. With the molecular formula of C₁₁H₉N₃S, its molecular weight is 215.27. The CAS registry number of this chemical is 35359-27-4.

Other characteristics of the [1,2,4]Triazolo[4,3-a]quinoline-1(2H)-thione, 5-methyl- can be summarised as followings: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.21; (5)ACD/BCF (pH 5.5): 1.31; (6)ACD/BCF (pH 7.4): 1.2; (7)ACD/KOC (pH 5.5): 8.2; (8)ACD/KOC (pH 7.4): 7.55; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 50.93 Å²; (13)Index of Refraction: 1.762; (14)Molar Refractivity: 62.79 cm³; (15)Molar Volume: 152.1 cm³; (16)Polarizability: 24.89×10^-24cm³; (17)Surface Tension: 52.5 dyne/cm; (18)Density: 1.41 g/cm³; (19)Flash Point: 146.5 °C; (20)Enthalpy of Vaporization: 56.01 kJ/mol; (21)Boiling Point: 318.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000357 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: S=C1N2c3c(\C(=C/C2=N/N1)C)cccc3
2.InChI: InChI=1/C11H9N3S/c1-7-6-10-12-13-11(15)14(10)9-5-3-2-4-8(7)9/h2-6H,1H3,(H,13,15)
3.InChIKey: VSUPYSJUZGXREB-UHFFFAOYAQ

Product Name

5-METHYL-[1,2,4]TRIAZOLO[4,3-A]QUINOLINE-1-THIOL

[1,2,4]Triazolo[4,3-a]quinoline-1(2H)-thione, 5-methyl- Specification

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