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3,4-Thiomorpholinedicarboxylicacid, 4-(phenylmethyl) ester, (R)- (9CI) (114580-22-2)

Identification
Name:3,4-Thiomorpholinedicarboxylicacid, 4-(phenylmethyl) ester, (R)- (9CI)
Synonyms:(R)-4-Cbz-thiomorpholine-3-carboxylic acid;
CAS:114580-22-2
Molecular Formula: C13H15NO4S
Molecular Weight: 281.33
InChI: InChI=1/C13H15NO4S/c15-12(16)11-9-19-7-6-14(11)13(17)18-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)/t11-/m1/s1
Molecular Structure: (C13H15NO4S) (R)-4-Cbz-thiomorpholine-3-carboxylic acid;
Properties
Density:1.355 g/cm3
Refractive index:1.607
Specification:

The (R)-4-Cbz-thiomorpholine-3-carboxylic acid with the cas number 114580-22-2 is also called 3,4-Thiomorpholinedicarboxylicacid, 4-(phenylmethyl) ester, (R)- (9CI). Its molecular formula is C13H15NO4S. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 92.14 Å2; (7)Index of Refraction: 1.607; (8)Molar Refractivity: 71.72 cm3; (9)Molar Volume: 207.5 cm3; (10)Polarizability: 28.43×10-24cm3; (11)Surface Tension: 60.5 dyne/cm; (12)Enthalpy of Vaporization: 79.8 kJ/mol; (13)Vapour Pressure: 1.85×10-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)COC(=O)N2CCSCC2C(=O)O
(2)InChI: InChI=1/C13H15NO4S/c15-12(16)11-9-19-7-6-14(11)13(17)18-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)/t11-/m1/s1
(3)InChIKey: HMXFICHATDLTHT-LLVKDONJBM

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