Basic Information | Post buying leads | Suppliers |
Name |
(R)-4-Cbz-thiomorpholine-3-carboxylic acid |
EINECS | N/A |
CAS No. | 114580-22-2 | Density | 1.355 g/cm3 |
PSA | 92.14000 | LogP | 1.76310 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H15NO4S | Boiling Point | 491.1 °C at 760 mmHg |
Molecular Weight | 281.33 | Flash Point | 250.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(R)-4-Cbz-thiomorpholine-3-carboxylic acid; |
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