4-Thiazolecarbothioic acid, S-methyl ester supplier

Name
S-METHYL THIAZOLE-4-CARBOTHIOATE
EINECS
CAS No. 913836-23-4
Density 1.353 g/cm³
Solubility
Melting Point 65-67 °C
Formula C₅H₅NOS₂
Boiling Point 251.9 °C at 760 mmHg
Molecular Weight 159.23
Flash Point 106.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms S-METHYL THIAZOLE-4-CARBOTHIOATE;THIAZOLE-4-CARBOXYLIC ACID METHYL THIOESTER;S-Methyl 1,3-thiazole-4-carbothioate;S-Methyl 1,3-thiazole-4-carbothioate 97%;S-Methyl thiazole-4-carbothioate 97%;4-Thiazolecarbothioicacid,S-Methylester
PSA 83.50000
LogP 1.64630

4-Thiazolecarbothioic acid, S-methyl ester Specification

This chemical is called 4-Thiazolecarbothioic acid, S-methyl ester, and its systematic name is S-Methyl thiazole-4-carbothioate. With the molecular formula of C₅H₅NOS₂, its molecular weight is 159.23. The CAS registry number of this chemical is 913836-23-4. Additionally, its product categories are Blocks; Thiazoles.

Other characteristics of the 4-Thiazolecarbothioic acid, S-methyl ester can be summarised as followings: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.46; (4)ACD/LogD (pH 7.4): 0.46 ; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 83.5 Å²; (9)Index of Refraction: 1.609; (10)Molar Refractivity: 40.75 cm³; (11)Molar Volume: 117.6 cm³; (12)Polarizability: 16.15×10^-24cm³; (13)Surface Tension: 55 dyne/cm; (14)Density: 1.353 g/cm³; (15)Flash Point: 106.1 °C; (16)Enthalpy of Vaporization: 48.92 kJ/mol; (17)Boiling Point: 251.9 °C at 760 mmHg; (18)Vapour Pressure: 0.0199 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CSC(=O)c1cscn1
2.InChI: InChI=1/C5H5NOS2/c1-8-5(7)4-2-9-3-6-4/h2-3H,1H3
3.InChIKey: JCDANFLSZQWXJF-UHFFFAOYAE

Product Name

S-METHYL THIAZOLE-4-CARBOTHIOATE

4-Thiazolecarbothioic acid, S-methyl ester Specification

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