2-Acetyl-4,5-dimethylthiazole supplier

Name
2-ACETYL-4,5-DIMETHYLTHIAZOLE
EINECS
CAS No. 7531-76-2
Article Data7
CAS DataBase
Density 1.139 g/cm³
Solubility
Melting Point
Formula C₇H₉NOS
Boiling Point 259.5 °C at 760 mmHg
Molecular Weight 155.22
Flash Point 110.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(4,5-Dimethylthiazol-2-yl)ethanone;2-Acetyl-4,5-dimethylthiazole;Ketone,4,5-dimethyl-2-thiazolyl methyl (7CI,8CI);
PSA 58.20000
LogP 1.96250

2-Acetyl-4,5-dimethylthiazole Specification

The systematic name of 2-Acetyl-4,5-dimethylthiazole is 1-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone. With the CAS registry number 7531-76-2, it is also named as Ethanone,1-(4,5-dimethyl-2-thiazolyl)-. The product's categories are Thiazoles, Isothiazoles & Benzothiazoles; Thiazoles, Isothiazoles & Benzothiazoles. In addition, its molecular formula is C₇H₉NOS and molecular weight is 155.22.

The other characteristics of 2-Acetyl-4,5-dimethylthiazole can be summarized as: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 5.63; (6)ACD/BCF (pH 7.4): 5.63; (7)ACD/KOC (pH 5.5): 119.98; (8)ACD/KOC (pH 7.4): 119.98; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.2 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 42.4 cm³; (15)Molar Volume: 136.2 cm³; (16)Polarizability: 16.81×10^-24cm³; (17)Surface Tension: 41.1 dyne/cm; (18)Density: 1.139 g/cm³; (19)Flash Point: 110.8 °C; (20)Enthalpy of Vaporization: 49.72 kJ/mol; (21)Boiling Point: 259.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0129 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(c1nc(c(s1)C)C)C
(2)InChI: InChI=1/C7H9NOS/c1-4-6(3)10-7(8-4)5(2)9/h1-3H3
(3)InChIKey: NQBBXAHMYZUTSW-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H9NOS/c1-4-6(3)10-7(8-4)5(2)9/h1-3H3
(5)Std. InChIKey: NQBBXAHMYZUTSW-UHFFFAOYSA-N

Product Name

2-ACETYL-4,5-DIMETHYLTHIAZOLE

2-Acetyl-4,5-dimethylthiazole Specification

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