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17225-95-5

Basic Information
CAS No.: 17225-95-5
Name: 2-naphthalen-2-ylsulfanylethanol
Molecular Structure:
Molecular Structure of 17225-95-5 (2-naphthalen-2-ylsulfanylethanol)
Formula: C12H12OS
Molecular Weight: 204.293
Synonyms: Ethanol,2-(2-naphthylthio)- (8CI);2-(2-Naphthylthio)ethanol;2-Hydroxyethyl 2-naphthylsulfide;NSC 202521;
Density: 1.21 g/cm3
Boiling Point: 378.9 °C at 760mmHg
Flash Point: 184.1 °C
PSA: 45.53000
LogP: 2.92420
Synthetic route
91-60-1

2-Naphthalenethiol

107-07-3

2-chloro-ethanol

17225-95-5

2-(2-naphthylthio)ethanol

Conditions
ConditionsYield
With potassium hydroxide at 60 - 100℃;
17225-95-5

2-(2-naphthylthio)ethanol

144127-62-8

C33H27NO4S

Conditions
ConditionsYield
With 18-crown-6 ether; caesium carbonate In acetonitrile at 25℃; for 45h;85%
17225-95-5

2-(2-naphthylthio)ethanol

35374-43-7

(2-chloroethyl)(naphthalen-2-yl)sulfide

Conditions
ConditionsYield
With phosphorus pentachloride
17225-95-5

2-(2-naphthylthio)ethanol

100519-04-8

2-(naphthalene-2-sulfonyl)-ethanol

Conditions
ConditionsYield
With sodium hydroxide; sodium hypochlorite
17225-95-5

2-(2-naphthylthio)ethanol

90395-98-5

β-naphthyl 2-chloroethyl sulfone

Conditions
ConditionsYield
With hydrogenchloride; sodium hypochlorite
17225-95-5

2-(2-naphthylthio)ethanol

1.25 mol PCl5

1.25 mol PCl5

35374-43-7

(2-chloroethyl)(naphthalen-2-yl)sulfide

17225-95-5

2-(2-naphthylthio)ethanol

PCl5 (excess)

PCl5 (excess)

<2-chloro-ethyl>--sulfide

<2-chloro-ethyl>--sulfide

Raw Materials
91-60-1
107-07-3
Downstream Products
35374-43-7
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Specification

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