Thiomorpholine,3-phenyl- (141849-62-9)

The CAS register number of 3-Phenylthiomorpholine is 141849-62-9. It also can be called as Thiomorpholine,3-phenyl- and the systematic name about this chemical is 3-phenylthiomorpholine. The molecular formula about this chemical is C₁₀H₁₃NS and the molecular weight is 179.28. It belongs to the API intermediates.

Physical properties about 3-Phenylthiomorpholine are: (1)ACD/LogP: 1.86; (2)ACD/LogD (pH 5.5): -0.82; (3)ACD/LogD (pH 7.4): 0.83; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.44; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 23.1; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 28.54Ų; (12)Index of Refraction: 1.568; (13)Molar Refractivity: 54.4 cm³; (14)Molar Volume: 166.1 cm³; (15)Polarizability: 21.56x10^-24cm³; (16)Surface Tension: 41.5 dyne/cm; (17)Enthalpy of Vaporization: 54.55 kJ/mol; (18)Boiling Point: 305.1 °C at 760 mmHg; (19)Vapour Pressure: 0.000841 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S2CC(c1ccccc1)NCC2
(2)InChI: InChI=1/C10H13NS/c1-2-4-9(5-3-1)10-8-12-7-6-11-10/h1-5,10-11H,6-8H2
(3)InChIKey: JIBMCWSAEWAKIP-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H13NS/c1-2-4-9(5-3-1)10-8-12-7-6-11-10/h1-5,10-11H,6-8H2
(5)Std. InChIKey: JIBMCWSAEWAKIP-UHFFFAOYSA-N