Basic Information | Post buying leads | Suppliers |
Name |
2-Furfurylthio-3-methylpyrazine |
EINECS | 267-918-3 |
CAS No. | 65530-53-2 | Density | 1.210 g/mL at 25 °C |
PSA | 64.22000 | LogP | 2.67030 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H10N2OS | Boiling Point | N/A |
Molecular Weight | 206.26 | Flash Point | 110 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39 | Risk Codes | 41 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Furfurylthio-3-methylpyrazine;2-Methyl-3(5/6)(furfurylthio) pyrazine; |
The systematic name of 2-Methyl-3(5/6)(furfurylthio) pyrazine is 2-[(furan-2-ylmethyl)sulfanyl]-3-methylpyrazine. With the CAS registry number 65530-53-2, it is also named as 2-Furfurylthio-3-methylpyrazine. The product's category is Heterocyclic Compounds. Besides, it is colorless liquid, which should be stored in aluminum cans. In addition, its molecular formula is C10H10N2OS and molecular weight is 206.26.
The other characteristics of 2-Methyl-3(5/6)(furfurylthio) pyrazine can be summarized as: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.59; (6)ACD/BCF (pH 7.4): 18.59; (7)ACD/KOC (pH 5.5): 281.96; (8)ACD/KOC (pH 7.4): 281.97; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 64.22 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 56.8 cm3; (15)Molar Volume: 164.9 cm3; (16)Polarizability: 22.52×10-24cm3; (17)Surface Tension: 57.6 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 144.1 °C; (20)Enthalpy of Vaporization: 53.37 kJ/mol; (21)Boiling Point: 314.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000846 mmHg at 25 °C.
Preparation and Uses of 2-Methyl-3(5/6)(furfurylthio) pyrazine: this chemical can be prepared by the chlorination of 2-Methylpyrazine. Moreover, it can be used for the preparation of food flavors.
People can use the following data to convert to the molecule structure.
(1)SMILES: n2c(SCc1occc1)c(ncc2)C
(2)InChI: InChI=1/C10H10N2OS/c1-8-10(12-5-4-11-8)14-7-9-3-2-6-13-9/h2-6H,7H2,1H3
(3)InChIKey: PFRSWMCUERVSAT-UHFFFAOYAN