Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

3-Thiomorpholinone, 2-phenyl-

Related Products

Hot Products

Name

3-Thiomorpholinone, 2-phenyl-

EINECS N/A
CAS No. 70156-57-9 Density 1.188 g/cm3
PSA 54.40000 LogP 1.91950
Solubility N/A Melting Point 158℃
Formula C10H11NOS Boiling Point 432.5 °C at 760 mmHg
Molecular Weight 193.269 Flash Point 215.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 70156-57-9 (2-PHENYLTHIOMORPHOLIN-3-ONE) Hazard Symbols N/A
Synonyms

2-phenyl-3-thiomorpholinon;IFLAB-BB F0848-0363;2-PHENYLTHIOMORPHOLIN-3-ONE;AKOS BBS-00000248

Article Data 3

3-Thiomorpholinone, 2-phenyl- Specification

This chemical is called 3-Thiomorpholinone, 2-phenyl-, and its systematic name is 2-phenylthiomorpholin-3-one. With the molecular formula of C10H11NOS, its molecular weight is 193.27. The CAS registry number of this chemical is 70156-57-9.

Other characteristics of the 3-Thiomorpholinone, 2-phenyl- can be summarised as followings: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.84; (4)ACD/LogD (pH 7.4): 0.84; (5)ACD/BCF (pH 5.5): 2.57; (6)ACD/BCF (pH 7.4): 2.57; (7)ACD/KOC (pH 5.5): 68.47; (8)ACD/KOC (pH 7.4): 68.47; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.61 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 54.53 cm3; (15)Molar Volume: 162.6 cm3; (16)Polarizability: 21.61×10-24cm3; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.188 g/cm3; (19)Flash Point: 215.4 °C; (20)Enthalpy of Vaporization: 68.83 kJ/mol; (21)Boiling Point: 432.5 °C at 760 mmHg; (22)Vapour Pressure: 1.1E-07 mmHg at 25°C.

Production method of this chemical: The 3-Thiomorpholinone, 2-phenyl- could be obtained by the reactants of bromo-phenyl-acetic acid ethyl ester and 2-amino-ethanethiol; hydrochloride. This reaction needs the reagent of K2CO3, and the solvent of ethanol. The yield is 80 %. In addition, this reaction should be taken for 24 hours.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C2NCCSC2c1ccccc1
2.InChI: InChI=1/C10H11NOS/c12-10-9(13-7-6-11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)
3.InChIKey: GWXBCKSRRQCIEM-UHFFFAOYAV

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 4gm/kg (4000mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 136, 1963.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 70156-57-9