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Name |
Isothiazolo[5,4-b]pyridine,3-methyl- |
EINECS | N/A |
CAS No. | 71109-34-7 | Density | 1.298 g/cm3 |
PSA | 54.02000 | LogP | 1.99970 |
Solubility | N/A | Melting Point |
83.1-84.5 °C |
Formula | C7H6N2S | Boiling Point | 178.723 °C at 760 mmHg |
Molecular Weight | 150.204 | Flash Point | 60.212 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-methyl[1,2]thiazolo[5,4-b]pyridine;3-methylisothiazolo[5,4-b]pyridine; |
Article Data | 5 |
The Isothiazolo[5,4-b]pyridine,3-methyl-, with cas registry number of 71109-34-7, has the systematic name and IUPAC name of 3-methyl[1,2]thiazolo[5,4-b]pyridine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H6N2S.
The characteristics of Isothiazolo[5,4-b]pyridine,3-methyl- are as followings: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 79; (8)ACD/KOC (pH 7.4): 80; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.02 Å2; (13)Index of Refraction: 1.675; (14)Molar Refractivity: 43.487 cm3; (15)Molar Volume: 115.751 cm3; (16)Polarizability: 17.24×10-24cm3; (17)Surface Tension: 58.562 dyne/cm; (18)Density: 1.298 g/cm3; (19)Flash Point: 60.212 °C; (20)Enthalpy of Vaporization: 39.798 kJ/mol; (21)Boiling Point: 178.723 °C at 760 mmHg; (22)Vapour Pressure: 1.319 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1c2cccnc2sn1
(2)InChI: InChI=1/C7H6N2S/c1-5-6-3-2-4-8-7(6)10-9-5/h2-4H,1H3
(3)InChIKey: LTWINMJBBFVXGY-UHFFFAOYAM