Isothiazolo[5,4-b]pyridine,3-methyl- supplier

Name
3-METHYL-ISOTHIAZOLO[5,4-B]PYRIDINE
EINECS
CAS No. 71109-34-7
Article Data5
CAS DataBase
Density 1.298 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-methyl[1,2]thiazolo[5,4-b]pyridine;3-methylisothiazolo[5,4-b]pyridine;
PSA 54.02000
LogP 1.99970

Isothiazolo[5,4-b]pyridine,3-methyl- Specification

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

Product Name

3-METHYL-ISOTHIAZOLO[5,4-B]PYRIDINE

Isothiazolo[5,4-b]pyridine,3-methyl- Specification

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