CAS No.45521-09-3,D-THIAZOLIDINE-4-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	45521-09-3
Name:	D-THIAZOLIDINE-4-CARBOXYLIC ACID
Article Data:	30

Formula:	C₄H₇NO₂S
Molecular Weight:	133.171
Synonyms:	4-Thiazolidinecarboxylicacid, (S)-;(S)-4-Thiazolidinecarboxylic acid;D-Thiazolidine-4-carboxylic acid;
EINECS:	256-240-3
Density:	1.38 g/cm³
Boiling Point:	350.3 °C at 760 mmHg
Flash Point:	165.7 °C
PSA:	74.63000
LogP:	0.06230

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Specification

This chemical is called 4-Thiazolidinecarboxylic acid, (4S)-, and it can also be named as (4S)-1,3-thiazolidine-4-carboxylic acid. With the molecular formula of C₄H₇NO₂S, its molecular weight is 133.17. The CAS registry number of this chemical is 45521-09-3. Additionally, it should be stored at the temperature of 0-5°C.

Other characteristics of the 4-Thiazolidinecarboxylic acid, (4S)- can be summarised as followings: (1)ACD/LogP: -0.39; (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: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 54.84 Å²; (11)Index of Refraction: 1.565; (12)Molar Refractivity: 31.45 cm³; (13)Molar Volume: 96.4 cm³; (14)Polarizability: 12.46×10^-24cm³; (15)Surface Tension: 53.8 dyne/cm; (16)Density: 1.38 g/cm³; (17)Flash Point: 165.7 °C; (18)Enthalpy of Vaporization: 65.36 kJ/mol; (19)Boiling Point: 350.3 °C at 760 mmHg; (20)Vapour Pressure: 7.63E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)[C@@H]1NCSC1
2.InChI: InChI=1/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m1/s1
3.InChIKey: DZLNHFMRPBPULJ-GSVOUGTGBS

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	750mg/kg (750mg/kg)		French Demande Patent Document. Vol. #2547728,
mouse	LD50	oral	6gm/kg (6000mg/kg)		French Demande Patent Document. Vol. #2547728,