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Cas Database |
| Name |
Methanethione,phenyl-1-piperidinyl- |
EINECS | N/A |
| CAS No. | 15563-40-3 | Density | 1.125 g/cm3 |
| PSA | 35.33000 | LogP | 2.78590 |
| Solubility | N/A | Melting Point |
63-64 °C(Solv: methanol (67-56-1); water (7732-18-5)) |
| Formula | C12H15NS | Boiling Point | 307.3 °C at 760 mmHg |
| Molecular Weight | 205.324 | Flash Point | 139.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-(Phenylthioxomethyl)piperidine; |
Article Data | 31 |
Methanethione,phenyl-1-piperidinyl- Specification
The Methanethione,phenyl-1-piperidinyl-, with the CAS registry number of 15563-40-3, is also known as 1-(Phenylthioxomethyl)piperidine. Its molecular formula is C12H15NS and molecular weight is 205.319200. What's more, its IUPAC name is Phenyl(piperidin-1-yl)methanethione.
Physical properties about the Methanethione,phenyl-1-piperidinyl- are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 35.33 Å2; (7)Index of Refraction: 1.613; (8)Molar Refractivity: 63.53 cm3; (9)Molar Volume: 182.3 cm3; (10)Surface Tension: 51 dyne/cm; (11)Density: 1.125 g/cm3; (12)Flash Point: 139.6 °C; (13)Enthalpy of Vaporization: 54.79 kJ/mol; (14)Boiling Point: 307.3 °C at 760 mmHg; (15)Vapour Pressure: 0.000732 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: S=C(c1ccccc1)N2CCCCC2
(2) InChI: InChI=1/C12H15NS/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2
(3) InChIKey: VAKVXOSNJMACTA-UHFFFAOYAR
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