4-Cbz-thiomorpholine-3-carboxylic acid supplier

Name
4-Cbz-thiomorpholine-3-carboxylic acid
EINECS
CAS No. 90471-66-2
Density 1.355g/cm³
Solubility
Melting Point
Formula C₁₃H₁₅NO₄S
Boiling Point 491.1 °C at 760 mmHg
Molecular Weight 281.33
Flash Point 250.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,4-thiomorpholinedicarboxylic acid, 4-(phenylmethyl) ester;
PSA 92.14000
LogP 1.76310

4-Cbz-thiomorpholine-3-carboxylic acid Specification

The 4-Cbz-thiomorpholine-3-carboxylic acid with cas registry number of 90471-66-2, has the systematic name of 4-[(benzyloxy)carbonyl]thiomorpholine-3-carboxylic acid. And it is also called acide 4-[(benzyloxy)carbonyl]thiomorpholine-3-carboxylique.

Physical properties about this chemical are: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.9; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 92.14 Å²; (11)Index of Refraction: 1.607; (12)Molar Refractivity: 71.72 cm³; (13)Molar Volume: 207.5 cm³; (14)Polarizability: 28.43×10^-24cm³; (15)Surface Tension: 60.5 dyne/cm; (16)Enthalpy of Vaporization: 79.8 kJ/mol; (17)Vapour Pressure: 1.85E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)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)
(3)InChIKey: HMXFICHATDLTHT-UHFFFAOYAL
(4)Std. InChI: InChI=1S/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)
(5)Std. InChIKey: HMXFICHATDLTHT-UHFFFAOYSA-N

Product Name

4-Cbz-thiomorpholine-3-carboxylic acid

4-Cbz-thiomorpholine-3-carboxylic acid Specification

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