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42258-90-2

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Basic Information
CAS No.: 42258-90-2
Name: methyl (R)-thiazolidine-4-carboxylate
Article Data: 16
Molecular Structure:
Molecular Structure of 42258-90-2 (methyl (R)-thiazolidine-4-carboxylate)
Formula: C5H9NO2S
Molecular Weight: 147.198
Synonyms: 4-Thiazolidinecarboxylicacid, methyl ester, (R)-;4-(R)-Thiazolidinecarboxylic acid methyl ester;L-Thiazolidine-4-carboxylic acid methyl ester;MethylL-thiazolidine-4-carboxylate;
EINECS: 255-739-3
Density: 1.208 g/cm3
Boiling Point: 238.9 °C at 760 mmHg
Flash Point: 98.3 °C
PSA: 63.63000
LogP: 0.15070
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Specification

The Methyl (R)-thiazolidine-4-carboxylate, with the CAS registry number 42258-90-2 and EINECS registry number 255-739-3, has the systematic name of methyl (4R)-1,3-thiazolidine-4-carboxylate. It belongs to the product category of Carboxylicester. And the molecular formula of the chemical is C5H9NO2S.

The characteristics of Methyl (R)-thiazolidine-4-carboxylate are as followings: (1)ACD/LogP: 0.07; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 54.84 Å2; (7)Index of Refraction: 1.507; (8)Molar Refractivity: 36.29 cm3; (9)Molar Volume: 121.8 cm3; (10)Polarizability: 14.38×10-24cm3; (11)Surface Tension: 39.1 dyne/cm; (12)Density: 1.208 g/cm3; (13)Flash Point: 98.3 °C; (14)Enthalpy of Vaporization: 47.58 kJ/mol; (15)Boiling Point: 238.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0413 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)[C@H]1NCSC1
(2)InChI: InChI=1/C5H9NO2S/c1-8-5(7)4-2-9-3-6-4/h4,6H,2-3H2,1H3/t4-/m0/s1
(3)InChIKey: NHBNAVLHRAPNKY-BYPYZUCNBA