Ethyl L-thiazolidine-4-carboxylate hydrochloride supplier

Name
Ethyl L-thiazolidine-4-carboxylate hydrochloride
EINECS 1806241-263-5
CAS No. 86028-91-3
Density
Solubility
Melting Point
Formula C₆H₁₂ClNO₂S
Boiling Point 289.7 °C at 760 mmHg
Molecular Weight 197.686
Flash Point 129 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Thiazolidinecarboxylicacid, ethyl ester, hydrochloride, (4R)- (9CI);4-Thiazolidinecarboxylic acid,ethyl ester, hydrochloride, (R)-;(4R)-Thiazolidinecarboxylic acid ethyl esterhydrochloride;Ethyl L-thiazolidine-4-carboxylate hydrochloride;
PSA 63.63000
LogP 1.34280

Ethyl L-thiazolidine-4-carboxylate hydrochloride Specification

The systematic name of Ethyl L-thiazolidine-4-carboxylate hydrochloride is N-[(9H-fluoren-9-ylmethoxy)carbonyl]-α-methyl-D-phenylalanine. With the CAS registry number 86028-91-3, it is also named as (R)-4-Thiazolidinecarboxylic acid ethyl ester hydrochloride. In addition, its molecular formula is C₆H₁₂ClNO₂S and its molecular weight is 197.68.

The other characteristics of Ethyl L-thiazolidine-4-carboxylate hydrochloride can be summarized as: (1)ACD/LogP: 0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.49; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.29; (6)ACD/KOC (pH 5.5): 2; (7)ACD/KOC (pH 7.4): 38.68; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 63.63 Å²; (12)Flash Point: 129 °C; (13)Enthalpy of Vaporization: 53.96 kJ/mol; (14)Boiling Point: 289.7 °C at 760 mmHg; (15)Vapour Pressure: 0.00164 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Cl.O=C(OCC)C1CSCN1
(2)InChI: InChI=1/C6H11NO2S.ClH/c1-2-9-6(8)5-3-10-4-7-5;/h5,7H,2-4H2,1H3;1H
(3)InChIKey: SQRLNYSSTHJCIU-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H11NO2S.ClH/c1-2-9-6(8)5-3-10-4-7-5;/h5,7H,2-4H2,1H3;1H
(5)Std. InChIKey: SQRLNYSSTHJCIU-UHFFFAOYSA-N

Product Name

Ethyl L-thiazolidine-4-carboxylate hydrochloride

Ethyl L-thiazolidine-4-carboxylate hydrochloride Specification

Related Products

Hot Products