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| CAS No.: | 3216-49-7 |
|---|---|
| Name: | 3-Methyl-1-benzothiophene-2-carbonitrile |
| Molecular Structure: | |
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| Formula: | C10H7NS |
| Molecular Weight: | 173.238 |
| Synonyms: | 2-Cyano-3-methylbenzothiophene;NSC 108923; |
| Density: | 1.23 g/cm3 |
| Boiling Point: | 328.5 °C at 760 mmHg |
| Flash Point: | 152.5 °C |
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Specification
This chemical is called 3-Methyl-1-benzothiophene-2-carbonitrile, and it can also be named as Benzo[b]thiophene-2-carbonitrile, 3-methyl-. With the molecular formula of C10H7NS, its molecular weight is 173.23. The CAS registry number of this chemical is 3216-49-7.
Other characteristics of the 3-Methyl-1-benzothiophene-2-carbonitrile can be summarised as followings: (1)ACD/LogP: 4.28; (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: 1.656; (8)Molar Refractivity: 51.64 cm3; (9)Molar Volume: 140.3 cm3; (10)Polarizability: 20.47×10-24cm3; (11)Surface Tension: 54.2 dyne/cm; (12)Density: 1.23 g/cm3; (13)Flash Point: 152.5 °C; (14)Enthalpy of Vaporization: 57.09 kJ/mol; (15)Boiling Point: 328.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000188 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: N#Cc2sc1ccccc1c2C
2.InChI: InChI=1/C10H7NS/c1-7-8-4-2-3-5-9(8)12-10(7)6-11/h2-5H,1H3
3.InChIKey: LYZMXDSIWAPCLH-UHFFFAOYAE