-
Name
D-THIAZOLIDINE-4-CARBOXYLIC ACID
- EINECS 256-240-3
- CAS No. 45521-09-3
- Article Data30
- CAS DataBase
- Density 1.38 g/cm3
- Solubility
- Melting Point
- Formula C4H7NO2S
- Boiling Point 350.3 °C at 760 mmHg
- Molecular Weight 133.171
- Flash Point 165.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 4-Thiazolidinecarboxylicacid, (S)-;(S)-4-Thiazolidinecarboxylic acid;D-Thiazolidine-4-carboxylic acid;
- PSA 74.63000
- LogP 0.06230
4-Thiazolidinecarboxylicacid, (4S)- 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, |
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