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| CAS No.: | 171877-37-5 |
|---|---|
| Name: | (R)-4-PHENYL-1,3-OXAZOLIDINE-2-THIONE |
| Molecular Structure: | |
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|
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| Formula: | C9H9NOS |
| Molecular Weight: | 179.243 |
| Synonyms: | 2-Oxazolidinethione,4-phenyl-, (R)-;(R)-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-, (4R)- is an organic compound with the formula C9H9NOS. The systematic name of this chemical is (4R)-4-Phenyl-1,3-oxazolidine-2-thione. With the CAS registry number 171877-37-5, it is also named as (R)-4-Phenyl-1,3-oxazolidine-2-thione. The product's categories are Asymmetric Synthesis; Chiral Auxiliaries; Oxazolidinone Derivatives. Besides, its molecular weight is 179.24.
Physical properties about 2-Oxazolidinethione,4-phenyl-, (4R)- are: (1)ACD/LogP: 2.32; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 6; (5)ACD/BCF (pH 7.4): 6; (6)ACD/KOC (pH 5.5): 125; (7)ACD/KOC (pH 7.4): 125; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 53.35 Å2; (12)Index of Refraction: 1.647; (13)Molar Refractivity: 51.082 cm3; (14)Molar Volume: 140.573 cm3; (15)Polarizability: 20.251×10-24 cm3; (16)Surface Tension: 57.756 dyne/cm; (17)Density: 1.275 g/cm3; (18)Flash Point: 118.307 °C; (19)Enthalpy of Vaporization: 51.027 kJ/mol; (20)Boiling Point: 272.009 °C at 760 mmHg; (21)Vapour Pressure: 0.006 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)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-/m0/s1
(2)InChIKey: LVIJIGQKFDZTNC-QMMMGPOBBI
(3)Std. InChI: InChI=1S/C9H9NOS/c12-9-10-8(6-11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,12)/t8-/m0/s1
(4)Std. InChIKey: LVIJIGQKFDZTNC-QMMMGPOBSA-N