1-Naphthalenethiol

The 1-Naphthalenethiol, with the CAS registry number 529-36-2, has the  IUPAC name Naphthalene-1-thiol. Its molecular formula is C₁₀H₈S and molecular weight is 160.2355. What's more, it has the EINECS 208-462-7. However, it should be stored in the cool and dry place where there is no fire, heat and light. Rember that not to keep it mixed with acids or food chemicals.

Physical properties about 1-Naphthalenethiol are: (1)ACD/LogP: 3.75; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.72; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 389.2; (6)ACD/BCF (pH 7.4): 62.05; (7)ACD/KOC (pH 5.5): 2437.96; (8)ACD/KOC (pH 7.4): 388.65; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.3 Å²; (13)Index of Refraction: 1.693; (14)Molar Refractivity: 52.27 cm³; (15)Molar Volume: 136.1 cm³; (16)Surface Tension: 48.6 dyne/cm; (17)Density: 1.176 g/cm³; (18)Flash Point: 134.2 °C; (19)Enthalpy of Vaporization: 50.3 kJ/mol; (20)Boiling Point: 285 °C at 760 mmHg; (21)Vapour Pressure: 0.00495 mmHg at 25 °C.

Preparation of the1-Naphthalenethiol: It can be prepared by Naphthalene-1-sulfonyl chloride. This reaction needs the reagent lithium aluminium hydride and the solvent diethyl ether. The reaction time is 0.5 hour and its yield is about 80 %.

Uses of the 1-Naphthalenethiol: It could be used to produce the di-[1]naphthyl disulfide. This reaction needs the reagent air and the solvents acetonitrile and H₂O, various solvent(s). It should be taken for 5 hours. The yield is 95 %.

When you are dealing with this chemical, you should be very careful: This chemical is irritating / harmful to eyes, respiratory system and skin. Therefore, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: Sc2cccc1ccccc12
(2) InChI: InChI=1/C10H8S/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
(3) InChIKey: SEXOVMIIVBKGGM-UHFFFAOYAN