n-Tetradecyl mercaptan (2079-95-0)

The 1-Tetradecanethiol, with the CAS registry number 2079-95-0, is also known as NSC 57865 and Tetradecyl mercaptan. It belongs to the product categories of Phenoles and thiophenoles. Its EINECS number is 218-209-2. This chemical's molecular formula is C₁₄H₃₀S and formula weight is 230.45. What's more, both its IUPAC name and systematic name are the same which is called Tetradecane-1-thiol.

Physical properties about this chemical are: (1)ACD/LogP: 7.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.62; (4)ACD/LogD (pH 7.4): 7.62; (5)ACD/BCF (pH 5.5): 366750.44; (6)ACD/BCF (pH 7.4): 366505.69; (7)ACD/KOC (pH 5.5): 334617.41; (8)ACD/KOC (pH 7.4): 334394.09; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 25.3 Å²; (13)Index of Refraction: 1.458; (14)Molar Refractivity: 74.8 cm³; (15)Molar Volume: 273.6 cm³; (16)Surface Tension: 30 dyne/cm; (17)Density: 0.842 g/cm³; (18)Flash Point: 120.9 °C; (19)Enthalpy of Vaporization: 52.57 kJ/mol; (20)Boiling Point: 307 °C at 760 mmHg; (21)Vapour Pressure: 0.00135 mmHg at 25°C; (22)Melting Point: 6-7 °C .

Uses of 1-Tetradecanethiol: it can be used to produce ditetradecyldisulfane at temperature of 20 °C. This reaction will need reagent Ca(OCl)₂, moist Montmorillonite K₁₀ and solvent hexane with reaction time of 15 min. The yield is about 94%.

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 and may cause sensitisation by skin contact. 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)Canonical SMILES: CCCCCCCCCCCCCCS
(2)InChI: InChI=1S/C14H30S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3
(3)InChIKey: GEKDEMKPCKTKEC-UHFFFAOYSA-N