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Name |
4-Thiazolecarbonitrile,2-methyl- |
EINECS | N/A |
CAS No. | 21917-76-0 | Density | 1.25g/cm3 |
PSA | 64.92000 | LogP | 1.32318 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | 23-36/37/39 | Risk Codes | 20/21/22 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Methyl-4-cyanothiazole;2-Methylthiazole-4-carbonitrile; |
Article Data | 3 |
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