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| CAS No.: | 72835-25-7 |
|---|---|
| Name: | 5-methylthiophene-2-carbonitrile |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C6H5NS |
| Molecular Weight: | 123.178 |
| Synonyms: | 2-Cyano-5-methylthiophene;5-Cyano-2-methylthiophene;5-Methylthiophene-2-carbonitrile;NSC 223386;5-methylthiophene-2-carbonitrile;2-Thiophenecarbonitrile, 5-methyl-; |
| Density: | 1.16 g/cm3 |
| Boiling Point: | 219 °C at 760 mmHg |
| Flash Point: | 86.3 °C |
| PSA: | 52.03000 |
| LogP: | 1.92818 |
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- Total:22 Page 1 of 1 1
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Specification
The 2-Thiophenecarbonitrile,5-methyl-, with the CAS registry number 72835-25-7, has the systematic name and IUPAC name of 5-methylthiophene-2-carbonitrile. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C6H5NS.
The characteristics of 2-Thiophenecarbonitrile,5-methyl- are as followings: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 52.03 Å2; (7)Index of Refraction: 1.556; (8)Molar Refractivity: 34.08 cm3; (9)Molar Volume: 105.9 cm3; (10)Polarizability: 13.51×10-24cm3; (11)Surface Tension: 46.1 dyne/cm; (12)Density: 1.16 g/cm3; (13)Flash Point: 86.3 °C; (14)Enthalpy of Vaporization: 45.54 kJ/mol; (15)Boiling Point: 219 °C at 760 mmHg; (16)Vapour Pressure: 0.122 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#Cc1sc(cc1)C
(2)InChI: InChI=1/C6H5NS/c1-5-2-3-6(4-7)8-5/h2-3H,1H3
(3)InChIKey: RBQRZWYCXAXPIN-UHFFFAOYAN