2-(2-Naphthalenylthio)ethanol supplier

Name
2-naphthalen-2-ylsulfanylethanol
EINECS
CAS No. 17225-95-5
Density 1.21 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₂OS
Boiling Point 378.9 °C at 760mmHg
Molecular Weight 204.293
Flash Point 184.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethanol,2-(2-naphthylthio)- (8CI);2-(2-Naphthylthio)ethanol;2-Hydroxyethyl 2-naphthylsulfide;NSC 202521;
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

Conditions	Yield
With potassium hydroxide at 60 - 100℃;

: 17225-95-5
2-(2-naphthylthio)ethanol

: 141328-78-1, 144178-75-6
C27H21NO4

: 144127-62-8
C33H27NO4S

Conditions

Conditions	Yield
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

Conditions	Yield
With phosphorus pentachloride

: 17225-95-5
2-(2-naphthylthio)ethanol

: 100519-04-8
2-(naphthalene-2-sulfonyl)-ethanol

Conditions

Conditions	Yield
With sodium hydroxide; sodium hypochlorite

: 17225-95-5
2-(2-naphthylthio)ethanol

: 90395-98-5
β-naphthyl 2-chloroethyl sulfone

Conditions

Conditions	Yield
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

2-(2-Naphthalenylthio)ethanol 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^-24cm³; (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

Product Name

2-naphthalen-2-ylsulfanylethanol

Synthetic route

2-(2-Naphthalenylthio)ethanol Specification

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