Basic information
- Name:
3,4-Thiazolidinedicarboxylicacid, 3-ethyl ester, (4R)-
- Superlist Name:
- Telmesteine
- CAS No.:
122946-43-4
- Molecular Structure:
- Formula:
- C7H11NO4S
- Molecular Weight:
- 205.23
- Synonyms:
- 3,4-Thiazolidinedicarboxylicacid, 3-ethyl ester, (R)-;Telmesteine;(4R)-3-[(Ethyloxy)carbonyl]-1,3-thiazolidine-4-carboxylic Acid;(-)-3-Ethyl hydrogen (R)-3,4-thiazolidinedicarboxylate;
- Density:
- 1.409 g/cm3
- Boiling Point:
- 386.2 °C at 760 mmHg
- Flash Point:
- 187.4 °C
Famous Chemical Enterprises
-
Livzon -
Total -
Shell -
Dupont -
Exxonmobil -
Akzonobel -
Basf -
Bayer -
BP
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
Specification
The 3,4-Thiazolidinedicarboxylicacid, 3-ethyl ester, (4R)-, with the CAS registry number 123054-31-9, is also known as 3,4-Thiazolidinedicarboxylicacid, 3-ethyl ester, (R)-. This chemical's molecular formula is C7H11NO4S and molecular weight is 205.23. What's more, its systematic name is (4R)-3-(ethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid.
Physical properties of 3,4-Thiazolidinedicarboxylicacid, 3-ethyl ester, (4R)- are: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.93; (4)ACD/LogD (pH 7.4): -3.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 81.14 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 47.25 cm3; (15)Molar Volume: 145.6 cm3; (16)Polarizability: 18.73×10-24 cm3; (17)Surface Tension: 59.9 dyne/cm; (18)Density: 1.409 g/cm3; (19)Flash Point: 187.4 °C; (20)Enthalpy of Vaporization: 69.72 kJ/mol; (21)Boiling Point: 386.2 °C at 760 mmHg; (22)Vapour Pressure: 4.88×10-7 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)N1CSC[C@H]1C(=O)O
(2)InChI: InChI=1/C7H11NO4S/c1-2-12-7(11)8-4-13-3-5(8)6(9)10/h5H,2-4H2,1H3,(H,9,10)/t5-/m0/s1
(3)InChIKey: XBJWOGLKABXFJE-YFKPBYRVBN
