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| CAS No.: | 1013-24-7 |
|---|---|
| Name: | 1-(2-METHYLMERCAPTOPHENYL)PIPERAZINE |
| Molecular Structure: | |
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| Formula: | C11H16N2S |
| Molecular Weight: | 208.327 |
| Synonyms: | Piperazine,1-[o-(methylthio)phenyl]- (6CI,7CI,8CI);1-(2-Methylsulfanylphenyl)piperazine;1-(2-Methylthiophenyl)piperazine;1-[(2-Methylmercapto)phenyl]piperazine; |
| Density: | 1.14 g/cm3 |
| Boiling Point: | 342.2 °C at 760 mmHg |
| Flash Point: | 160.7 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 40.57000 |
| LogP: | 2.21190 |
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- Total:18 Page 1 of 1 1
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Specification
The Piperazine,1-[2-(methylthio)phenyl]-, with the CAS registry number 1013-24-7, is also known as 1-[2-(Methylthio)phenyl]piperazine 96%. This chemical's molecular formula is C11H16N2S and molecular weight is 208.32. Its systematic name is called 1-[2-(methylsulfanyl)phenyl]piperazine.
Physical properties of Piperazine,1-[2-(methylthio)phenyl]-: (1)ACD/LogP: 1.60; (2)ACD/LogD (pH 5.5): -1.13; (3)ACD/LogD (pH 7.4): 0.5; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 13.95; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 63.4 cm3; (13)Molar Volume: 181.4 cm3; (14)Surface Tension: 48.8 dyne/cm; (15)Density: 1.14 g/cm3; (16)Flash Point: 160.7 °C; (17)Enthalpy of Vaporization: 58.59 kJ/mol; (18)Boiling Point: 342.2 °C at 760 mmHg; (19)Vapour Pressure: 7.67E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: S(c1ccccc1N2CCNCC2)C
(2)InChI: InChI=1/C11H16N2S/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
(3)InChIKey: RXJURXTXLCOIDY-UHFFFAOYAG