Basic Information | Post buying leads | Suppliers |
Name |
2-(2-Naphthalenylthio)ethanol |
EINECS | N/A |
CAS No. | 17225-95-5 | Density | 1.21 g/cm3 |
PSA | 45.53000 | LogP | 2.92420 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H12OS | Boiling Point | 378.9 °C at 760mmHg |
Molecular Weight | 204.293 | Flash Point | 184.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ethanol,2-(2-naphthylthio)- (8CI);2-(2-Naphthylthio)ethanol;2-Hydroxyethyl 2-naphthylsulfide;NSC 202521; |
Conditions | Yield |
---|---|
With potassium hydroxide at 60 - 100℃; |
Conditions | Yield |
---|---|
With 18-crown-6 ether; caesium carbonate In acetonitrile at 25℃; for 45h; | 85% |
2-(2-naphthylthio)ethanol
(2-chloroethyl)(naphthalen-2-yl)sulfide
Conditions | Yield |
---|---|
With phosphorus pentachloride |
2-(2-naphthylthio)ethanol
2-(naphthalene-2-sulfonyl)-ethanol
Conditions | Yield |
---|---|
With sodium hydroxide; sodium hypochlorite |
2-(2-naphthylthio)ethanol
β-naphthyl 2-chloroethyl sulfone
Conditions | Yield |
---|---|
With hydrogenchloride; sodium hypochlorite |
2-(2-naphthylthio)ethanol
(2-chloroethyl)(naphthalen-2-yl)sulfide
2-(2-naphthylthio)ethanol
The 2-(2-Naphthalenylthio)ethanol is an organic compound with the formula C12H12OS. The IUPAC name of this chemical is 2-naphthalen-2-ylsulfanylethanol. With the CAS registry number 17225-95-5, it is also named as 2-Hydroxyethyl 2-naphthyl sulfide. In addition, the molecular weight is 204.29.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 34.53 Å2; (7)Index of Refraction: 1.671; (8)Molar Refractivity: 63.11 cm3; (9)Molar Volume: 168.6 cm3; (10)Polarizability: 25.02×10-24 cm3; (11)Surface Tension: 54.4 dyne/cm; (12)Enthalpy of Vaporization: 66.12 kJ/mol; (13)Vapour Pressure: 2.05E-06 mmHg at 25°C; (14)Rotatable Bond Count: 3; (15)Exact Mass: 204.060886; (16)MonoIsotopic Mass: 204.060886; (17)Topological Polar Surface Area: 45.5; (18)Heavy Atom Count: 14; (19)Complexity: 172.
Uses of 2-(2-Naphthalenylthio)ethanol: It can react with C27H21NO4 to get C33H27NO4S. This reaction needs reagents cesium carbonate, 18-crown-6 and solvent acetonitrile at temperature of 25 °C. The reaction time is 45 hours. The yield is 85%.
People can use the following data to convert to the molecule structure.
1. SMILES:OCCSc2ccc1c(cccc1)c2
2. InChI:InChI=1/C12H12OS/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2
3. InChIKey:JXYIEIBYPJBHPF-UHFFFAOYAK
4. Std. InChI:InChI=1S/C12H12OS/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2
5. Std. InChIKey:JXYIEIBYPJBHPF-UHFFFAOYSA-N