Methyl 4-thiazolecarboxylate supplier

Name
METHYL 4-THIAZOLECARBOXYLATE
EINECS
CAS No. 59418-09-6
Article Data8
CAS DataBase
Density 1.301 g/cm³
Solubility
Melting Point 38-42 °C
Formula C₅H₅NO₂S
Boiling Point 219.8 °C at 760 mmHg
Molecular Weight 143.166
Flash Point 86.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Methylthiazole-4-carboxylate;
PSA 67.43000
LogP 0.92970

Methyl 4-thiazolecarboxylate Specification

This chemical is called Methyl 1,3-thiazole-4-carboxylate, and it can also be named as 4-Thiazolecarboxylic acid, methyl ester. With the molecular formula of C₅H₅NO₂S, its molecular weight is 143.16. The CAS registry number of this chemical is 59418-09-6. Additionally, its product categories are Blocks; Carboxes; Thiazoles.

Other characteristics of the Methyl 1,3-thiazole-4-carboxylate can be summarised as followings: (1)ACD/LogP: 0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.42; (4)ACD/LogD (pH 7.4): 0.42; (5)ACD/BCF (pH 5.5): 1.22; (6)ACD/BCF (pH 7.4): 1.22; (7)ACD/KOC (pH 5.5): 40.2; (8)ACD/KOC (pH 7.4): 40.2; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.43 Å²; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 34.5 cm³; (15)Molar Volume: 110 cm³; (16)Polarizability: 13.67×10^-24cm³; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.301 g/cm³; (19)Flash Point: 86.8 °C; (20)Enthalpy of Vaporization: 45.63 kJ/mol; (21)Boiling Point: 219.8 °C at 760 mmHg; (22)Vapour Pressure: 0.117 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c1ncsc1
2.InChI: InChI=1/C5H5NO2S/c1-8-5(7)4-2-9-3-6-4/h2-3H,1H3
3.InChIKey: KUWWRNNYEYGSBQ-UHFFFAOYAV

Product Name

METHYL 4-THIAZOLECARBOXYLATE

Methyl 4-thiazolecarboxylate Specification

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