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1-Propanone,1-[(4S)-4-(phenylmethyl)-2-thioxo-3-oxazolidinyl]- (145588-95-0)

Identification
Name:1-Propanone,1-[(4S)-4-(phenylmethyl)-2-thioxo-3-oxazolidinyl]-
Synonyms:2-Oxazolidinethione,3-(1-oxopropyl)-4-(phenylmethyl)-, (4S)- (9CI);2-Oxazolidinethione, 3-(1-oxopropyl)-4-(phenylmethyl)-,(S)-;
CAS:145588-95-0
Molecular Formula: C13H15NO2S
Molecular Weight: 249.33
InChI: InChI=1/C13H15NO2S/c1-2-12(15)14-11(9-16-13(14)17)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m0/s1
Molecular Structure: (C13H15NO2S) 2-Oxazolidinethione,3-(1-oxopropyl)-4-(phenylmethyl)-, (4S)- (9CI);2-Oxazolidinethione, 3-(1-oxoprop...
Properties
Melting Point: 74-75 ºC
Density:1.234 g/cm3
Refractive index:1.609
Specification:

The (S)-4-Benzyl-3-propionyl-1,3-oxazolidine-2-thione ,its cas register number is 145588-95-0.It also can be called as 1-Propanone,1-[(4S)-4-(phenylmethyl)-2-thioxo-3-oxazolidinyl]- and the Systematic name about this chemicals is (4S)-4-benzyl-3-propanoyl-1,3-oxazolidine-2-thione .

Following are the chemical properties about (S)-4-Benzyl-3-propionyl-1,3-oxazolidine-2-thione :(1)#H bond acceptors: 3 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 3 ; (4)Polar Surface Area: 61.63Å2 ; (5)Index of Refraction: 1.609 ; (6)Molar Refractivity: 69.952 cm3 ; (7)Molar Volume: 201.976 cm3 ; (8)Surface Tension: 55.408 dyne/cm ; (9)Enthalpy of Vaporization: 59.08 kJ/mol

This chemicals can be described computed from structure:
(1)SMILES: S=C1OC[C@@H](N1C(=O)CC)Cc2ccccc2
(2)InChI: InChI=1/C13H15NO2S/c1-2-12(15)14-11(9-16-13(14)17)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m0/s1
(3)InChIKey: RMIDPJIHKSUBCO-NSHDSACABB

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