Basic Information | Post buying leads | Suppliers |
Name |
2-Isopropyl-3-methylthiopyrazine |
EINECS | 267-913-6 |
CAS No. | 67952-59-4 | Density | 1.08 g/cm3 |
PSA | 51.08000 | LogP | 2.32190 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H12N2S | Boiling Point | 246.1 °C at 760 mmHg |
Molecular Weight | 168.2593 | Flash Point | 102.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pyrazine, 2-(1-methylethyl)-3-(methylthio)-; |
The 2-Isopropyl-3-methylthiopyrazine, with the CAS registry number of 67952-59-4, is also known as Pyrazine, 2-(1-methylethyl)-3-(methylthio)-. Its EINECS registry number is 267-913-6. Its molecular formula is C8H12N2S and molecular weight is 168.26. What's more, its IUPAC name is 2-Methylsulfanyl-3-propan-2-ylpyrazine.
Physical properties about the 2-Isopropyl-3-methylthiopyrazine are: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 55.6; (6)ACD/BCF (pH 7.4): 55.6; (7)ACD/KOC (pH 5.5): 617.63; (8)ACD/KOC (pH 7.4): 617.64; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.08 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 48.85 cm3; (15)Molar Volume: 155.7 cm3; (16)Surface Tension: 45 dyne/cm; (17)Density: 1.08 g/cm3; (18)Flash Point: 102.6 °C; (19)Enthalpy of Vaporization: 46.36 kJ/mol; (20)Boiling Point: 246.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0434 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: S(c1nccnc1C(C)C)C
(2) InChI: InChI=1/C8H12N2S/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3
(3) InChIKey: MUSIVZZZFRJWGI-UHFFFAOYAG