Products Categories
| CAS No.: | 3878-41-9 |
|---|---|
| Name: | 2-HYDROXYETHYL BENZYL SULFIDE |
| Article Data: | 31 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H12OS |
| Molecular Weight: | 168.26 |
| Synonyms: | Ethanol,2-(benzylthio)- (6CI,7CI,8CI);2-Hydroxyethyl benzylsulfide;NSC 404004; |
| EINECS: | 223-405-6 |
| Density: | 1.12 g/cm3 |
| Boiling Point: | 296.1 °C at 760 mmHg |
| Flash Point: | 144.3 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 45.53000 |
| LogP: | 1.91210 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 43224-75-52,2,6,6-Tetramethyl-4-(2-propyleneoxy) Piperidine
What can I do for you?
Get Best Price
Specification
The Ethanol,2-[(phenylmethyl)thio]-, with CAS registry number 3878-41-9, belongs to the following product category: Alkohols. It has the systematic name of 2-(benzylsulfanyl)ethanol. And the chemical formula of this chemical is C9H12OS. What's more, its EINECS is 223-405-6.
Physical properties of Ethanol,2-[(phenylmethyl)thio]-: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.32; (6)ACD/BCF (pH 7.4): 16.32; (7)ACD/KOC (pH 5.5): 256.89; (8)ACD/KOC (pH 7.4): 256.89; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 34.53 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 49.96 cm3; (15)Molar Volume: 150.2 cm3; (16)Polarizability: 19.8×10-24cm3; (17)Surface Tension: 45.9 dyne/cm; (18)Enthalpy of Vaporization: 56.59 kJ/mol; (19)Vapour Pressure: 0.000661 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-mercapto-ethanol and chloromethyl-benzene. This reaction will need reagents alkali, alcohol.
.jpg)
Uses of Ethanol,2-[(phenylmethyl)thio]-: it can be used to produce benzyl-(2-chloro-ethyl)-sulfide. This reaction will need reagent PCl3.
.jpg)
You can still convert the following datas into molecular structure:
(1)SMILES: S(CCO)Cc1ccccc1
(2)InChI: InChI=1/C9H12OS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
(3)InChIKey: ANMHSIXPUAKNLM-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H12OS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
(5)Std. InChIKey: ANMHSIXPUAKNLM-UHFFFAOYSA-N