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| CAS No.: | 802840-32-0 |
|---|---|
| Name: | 2-(Heptylthio)pyridine |
| Molecular Structure: | |
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| Formula: | C12H19NS |
| Molecular Weight: | 209.35 |
| Synonyms: | 2-(Heptylsulfanyl)pyridine; |
| Density: | 0.98 g/cm3 |
| Boiling Point: | 312.7 °C at 760 mmHg |
| Flash Point: | 142.9 °C |
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Specification
The 2-(Heptylthio)pyridine, with the CAS registry number 802840-32-0, is also known as 2-(heptylsulfanyl)pyridine. With the molecular formula of C12H19NS, its molecular weight is 209.351.
Other characteristics of the 2-(Heptylthio)pyridine can be summarised as followings: (1)ACD/LogP: 4.90; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 38.19 Å2; (7)Index of Refraction: 1.524; (8)Molar Refractivity: 64.97 cm3; (9)Molar Volume: 212 cm3; (10)Polarizability: 25.75×10-24cm3; (11)Surface Tension: 39.6 dyne/cm; (12)Density: 0.98 g/cm3; (13)Flash Point: 142.9 °C; (14)Enthalpy of Vaporization: 53.17 kJ/mol; (15)Boiling Point: 312.7 °C at 760 mmHg; (16)Vapour Pressure: 0.000956 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: S(c1ncccc1)CCCCCCC
2.InChI: InChI=1/C12H19NS/c1-2-3-4-5-8-11-14-12-9-6-7-10-13-12/h6-7,9-10H,2-5,8,11H2,1H3
3.InChIKey: DGHCPERLGZPPHQ-UHFFFAOYAO