Boc-L-Thiazolidine-4-carboxylic acid supplier

Name
BOC-L-THIAZOLIDINE-4-CARBOXYLIC ACID
EINECS -0
CAS No. 51077-16-8
Article Data25
CAS DataBase
Density 1.306 g/cm³
Solubility Insoluble in water.
Melting Point 125-131 °C
Formula C₉H₁₅NO₄S
Boiling Point 385.285 °C at 760 mmHg
Molecular Weight 233.288
Flash Point 186.814 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms (4R)-3-(tert-Butoxycarbonyl)-1,3-thiazolidine-4-carboxylicacid;N-(tert-Butoxycarbonyl)-L-thioproline;tert-Butyloxycarbonyl-L-thiazolidine-4-carboxylic acid;
PSA 92.14000
LogP 1.31890

Boc-L-Thiazolidine-4-carboxylic acid Specification

The systematic name of Boc-L-Thiazolidine-4-carboxylic acid is (4R)-3-(tert-butoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid. With the CAS registry number 51077-16-8, it is also named as 3,4-Thiazolidinedicarboxylicacid, 3-(1,1-dimethylethyl) ester, (R)-. The product's category is Amino Acids. Besides, it is solid, which should be sealed at -20 °C. When you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes. In addition, its molecular formula is C₉H₁₅NO₄S and molecular weight is 233.28.

The other characteristics of Boc-L-Thiazolidine-4-carboxylic acid can be summarized as: (1)ACD/LogP: 0.74; (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; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 81.14 Å²; (11)Index of Refraction: 1.544; (12)Molar Refractivity: 56.48 cm³; (13)Molar Volume: 178.6 cm³; (14)Polarizability: 22.39×10^-24cm³; (15)Surface Tension: 52.7 dyne/cm; (16)Density: 1.305 g/cm³; (17)Flash Point: 186.8 °C; (18)Melting Point: 125-131 °C; (19)Enthalpy of Vaporization: 69.61 kJ/mol; (20)Boiling Point: 385.3 °C at 760 mmHg; (21)Vapour Pressure: 5.26E-07 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OC(C)(C)C)N1[C@H](C(=O)O)CSC1
(2)InChI: InChI=1/C9H15NO4S/c1-9(2,3)14-8(13)10-5-15-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m0/s1
(3)InChIKey: FJWNZTPXVSWUKF-LURJTMIEBJ
(4)Std. InChI: InChI=1S/C9H15NO4S/c1-9(2,3)14-8(13)10-5-15-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m0/s1
(5)Std. InChIKey: FJWNZTPXVSWUKF-LURJTMIESA-N

Product Name

BOC-L-THIAZOLIDINE-4-CARBOXYLIC ACID

Boc-L-Thiazolidine-4-carboxylic acid Specification

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