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| CAS No.: | 190970-57-1 |
|---|---|
| Name: | (S)-4-PHENYL-1,3-OXAZOLIDINE-2-THIONE |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C9H9NOS |
| Molecular Weight: | 179.243 |
| Synonyms: | 2-Oxazolidinethione,4-phenyl-, (S)-;(4S)-4-Phenyloxazolidine-2-thione; |
| Density: | 1.275 g/cm3 |
| Boiling Point: | 272.009 °C at 760 mmHg |
| Flash Point: | 118.307 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 53.35000 |
| LogP: | 1.96120 |
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Specification
The 2-Oxazolidinethione,4-phenyl-, (4S)-, with the CAS registry number 190970-57-1, is also known as (S)-4-Phenyloxazolidine-2-thione. It belongs to the product categories of Asymmetric Synthesis; Chiral Auxiliaries; Oxazolidinone Derivatives. This chemical's molecular formula is C9H9NOS and molecular weight is 179.2389. Its systematic name is called (4S)-4-phenyl-1,3-oxazolidine-2-thione. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 2-Oxazolidinethione,4-phenyl-, (4S)-: (1)ACD/LogP: 1.32; (2)ACD/LogD (pH 5.5): 1.32; (3)ACD/LogD (pH 7.4): 1.32; (4)ACD/BCF (pH 5.5): 5.97; (5)ACD/BCF (pH 7.4): 5.97; (6)ACD/KOC (pH 5.5): 125.08; (7)ACD/KOC (pH 7.4): 125.08; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.646; (12)Molar Refractivity: 51.08 cm3; (13)Molar Volume: 140.5 cm3; (14)Surface Tension: 57.7 dyne/cm; (15)Density: 1.27 g/cm3; (16)Flash Point: 118.3 °C; (17)Enthalpy of Vaporization: 51.03 kJ/mol; (18)Boiling Point: 272 °C at 760 mmHg; (19)Vapour Pressure: 0.00624 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C2OC[C@H](c1ccccc1)N2
(2)InChI: InChI=1/C9H9NOS/c12-9-10-8(6-11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,12)/t8-/m1/s1
(3)InChIKey: LVIJIGQKFDZTNC-MRVPVSSYBK