4-Methyl-1H-quinoline-2-thione supplier

Name
4-METHYLQUINOLIN-2-THIONE
EINECS
CAS No. 4437-65-4
Article Data11
CAS DataBase
Density 1.22 g/cm³
Solubility
Melting Point ca 255℃
Formula C₁₀H₉NS
Boiling Point 272.3 °C at 760 mmHg
Molecular Weight 175.254
Flash Point 118.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-methylquinoline-2-thiolate;4-Methylquinoline-2-thiol;
PSA 51.69000
LogP 2.83190

4-Methyl-1H-quinoline-2-thione Specification

The 4-Methyl-1H-quinoline-2-thione, with the CAS registry number of 4437-65-4, is also known as 4-Methylquinolin-2-thione. This chemical's molecular formula is C₁₀H₉NS and molecular weight is 175.25. What's more, its systematic name is called 4-Methylquinoline-2(1H)-thione.

Physical properties about 4-Methyl-1H-quinoline-2-thione are: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.47; (4)ACD/LogD (pH 7.4): 0.44; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.54; (8)ACD/KOC (pH 7.4): 3.29; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 35.33 Å²; (13)Index of Refraction: 1.675; (14)Molar Refractivity: 53.66 cm³; (15)Molar Volume: 142.8 cm³; (16)Surface Tension: 56.4 dyne/cm; (17)Density: 1.22 g/cm³; (18)Flash Point: 118.5 °C; (19)Enthalpy of Vaporization: 51.05 kJ/mol; (20)Boiling Point: 272.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00614 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C2/C=C(\c1c(cccc1)N2)C
(2) InChI: InChI=1/C10H9NS/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,11,12)
(3) InChIKey: OJOPTXKXKPMMGC-UHFFFAOYAB

Product Name

4-METHYLQUINOLIN-2-THIONE

4-Methyl-1H-quinoline-2-thione Specification

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