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913836-23-4

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Basic Information
CAS No.: 913836-23-4
Name: S-METHYL THIAZOLE-4-CARBOTHIOATE
Molecular Structure:
Molecular Structure of 913836-23-4 (S-METHYL THIAZOLE-4-CARBOTHIOATE)
Formula: C5H5NOS2
Molecular Weight: 159.23
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
Density: 1.353 g/cm3
Melting Point: 65-67 °C
Boiling Point: 251.9 °C at 760 mmHg
Flash Point: 106.1 °C
Hazard Symbols: IrritantXi
PSA: 83.50000
LogP: 1.64630
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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