4-Thiazolecarbothioamide,2-methyl- supplier

Name
2-METHYL-1,3-THIAZOLE-4-CARBOTHIOAMIDE
EINECS
CAS No. 174223-29-1
Article Data3
CAS DataBase
Density 1.376 g/cm³
Solubility
Melting Point 201 °C
Formula C₅H₆N₂S₂
Boiling Point 289.621 °C at 760 mmHg
Molecular Weight 158.248
Flash Point 128.959 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Methylthiazole-4-carbothioicacid amide;2-Methylthiazole-4-thiocarboxamide;2-methylthiazole-4-carbothioamide;4-thiazolecarbothioamide, 2-methyl-;
PSA 99.24000
LogP 1.78600

4-Thiazolecarbothioamide,2-methyl- Specification

The 4-Thiazolecarbothioamide,2-methyl-, with the CAS registry number 174223-29-1, has the systematic name of 2-methylthiazole-4-carbothioamide. It belongs to the following product categories: Thioamide; Thiazoles, Isothiazoles &Benzothiazoles; Thiazoles, Isothiazoles & Benzothiazoles. And the molecular formula of the chemical is C₅H₆N₂S₂.

The characteristics of 4-Thiazolecarbothioamide,2-methyl- are as followings: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.749; (4)ACD/LogD (pH 7.4): 0.749; (5)ACD/BCF (pH 5.5): 2.184; (6)ACD/BCF (pH 7.4): 2.185; (7)ACD/KOC (pH 5.5): 60.885; (8)ACD/KOC (pH 7.4): 60.893; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 99.24 Å²; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 43.743 cm³; (15)Molar Volume: 114.981 cm³; (16)Polarizability: 17.341×10^-24cm³; (17)Surface Tension: 74.794 dyne/cm; (18)Density: 1.376 g/cm³; (19)Flash Point: 128.959 °C; (20)Enthalpy of Vaporization: 52.894 kJ/mol; (21)Boiling Point: 289.621 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1nc(cs1)C(=S)N
(2)InChI: InChI=1/C5H6N2S2/c1-3-7-4(2-9-3)5(6)8/h2H,1H3,(H2,6,8)
(3)InChIKey: DIOPPULTIGEDCB-UHFFFAOYAC

Product Name

2-METHYL-1,3-THIAZOLE-4-CARBOTHIOAMIDE

4-Thiazolecarbothioamide,2-methyl- Specification

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