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| CAS No.: | 7433-79-6 |
|---|---|
| Name: | 2-(METHYLTHIO)NAPHTHALENE |
| Article Data: | 6 |
| Molecular Structure: | |
|
|
|
| Formula: | C11H10S |
| Molecular Weight: | 174.266 |
| Synonyms: | Sulfide,methyl 2-naphthyl (6CI,7CI);2-(Methylthio)naphthalene;2-Naphthyl methylsulfide;Methyl 2-naphthyl sulfide;2-(methylsulfanyl)naphthalene;2-methylthionaphthalene;Methyl 2-naphthyl sulfide;naphthalene, 2-(methylthio)-; |
| Density: | 1.12 g/cm3 |
| Melting Point: | 62-63°C |
| Boiling Point: | 303.7 °C at 760 mmHg |
| Flash Point: | 133 °C |
| Solubility: | Slightly soluble in water |
| Hazard Symbols: |
 Xn, Xi, N
|
| Risk Codes: | R22; R36/37/38; R20/21/22; R52/53 |
| PSA: | 25.30000 |
| LogP: | 3.56170 |
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- Total:12 Page 1 of 1 1
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Specification
The Naphthalene,2-(methylthio)-, with the CAS registry number 7433-79-6, has the systematic name of 2-(methylsulfanyl)naphthalene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C11H10S.
The characteristics of Naphthalene,2-(methylthio)- are as followings: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.94; (4)ACD/LogD (pH 7.4): 3.94; (5)ACD/BCF (pH 5.5): 576.26; (6)ACD/BCF (pH 7.4): 576.26; (7)ACD/KOC (pH 5.5): 3293.46; (8)ACD/KOC (pH 7.4): 3293.46; (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: 1.658; (14)Molar Refractivity: 56.94 cm3; (15)Molar Volume: 154.6 cm3; (16)Polarizability: 22.57×10-24cm3; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.12 g/cm3; (19)Flash Point: 133 °C; (20)Enthalpy of Vaporization: 52.23 kJ/mol; (21)Boiling Point: 303.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00164 mmHg at 25°C.
Uses of Naphthalene,2-(methylthio)-: It can be used to produce 1-chloro-2-methylsulfanylnaphthalene. This reaction will need reagent CuCl2-Al2O3, and the menstruum benzene. The reaction time is 1.5 hours with temperature of 80°C, and the yield is about 93%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S(c2ccc1c(cccc1)c2)C
(2)InChI: InChI=1/C11H10S/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
(3)InChIKey: SSKUUDUKJMIOKQ-UHFFFAOYAZ