4-Thiazolecarbonitrile,2-methyl- supplier

Name
2-METHYL-1,3-THIAZOLE-4-CARBONITRILE
EINECS
CAS No. 21917-76-0
Article Data3
CAS DataBase
Density 1.25g/cm³
Solubility
Melting Point 58-61°C
Formula C₅H₄N₂S
Boiling Point 229.399 °C at 760 mmHg
Molecular Weight 124.166
Flash Point 92.538 °C
Transport Information
Appearance
Safety 23-36/37/39
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Methyl-4-cyanothiazole;2-Methylthiazole-4-carbonitrile;
PSA 64.92000
LogP 1.32318

4-Thiazolecarbonitrile,2-methyl- Specification

The 4-Thiazolecarbonitrile,2-methyl-, with CAS registry number 21917-76-0, has the systematic name of 2-methylthiazole-4-carbonitrile. Besides this, it is also called 2-Methyl-1,3-thiazole-4-carbonitrile. And the chemical formula of this chemical is C₅H₄N₂S.

Physical properties of 4-Thiazolecarbonitrile,2-methyl-: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.106; (4)ACD/LogD (pH 7.4): 0.106; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.202; (8)ACD/KOC (pH 7.4): 27.202; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 64.92 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 31.883 cm³; (15)Molar Volume: 98.818 cm³; (16)Polarizability: 12.639×10^-24cm³; (17)Surface Tension: 57.164 dyne/cm; (18)Density: 1.256 g/cm³; (19)Flash Point: 92.538 °C; (20)Enthalpy of Vaporization: 46.601 kJ/mol; (21)Boiling Point: 229.399 °C at 760 mmHg; (22)Vapour Pressure: 0.07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 4-Thiazolecarbonitrile,2-methyl- is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. You should not breathe vapour.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1nc(cs1)C#N
(2)InChI: InChI=1/C5H4N2S/c1-4-7-5(2-6)3-8-4/h3H,1H3
(3)InChIKey: YYRJTQRYMNMUCR-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C5H4N2S/c1-4-7-5(2-6)3-8-4/h3H,1H3
(5)Std. InChIKey: YYRJTQRYMNMUCR-UHFFFAOYSA-N

Product Name

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

4-Thiazolecarbonitrile,2-methyl- Specification

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