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| CAS No.: | 5025-82-1 |
|---|---|
| Name: | 4-Thiazolidinecarboxylic acid, 3-acetyl- |
| Article Data: | 6 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C6H9NO3S |
| Molecular Weight: | 175.208 |
| Synonyms: | Aminofol;N-Acetyl-1,3-thiazolidine-4-carboxylic acid;N-Acetyl-4-thiazolidinecarboxylic acid;NSC 146111;3-Acetylthiazolidine-4-carboxylic acid; |
| EINECS: | 225-713-6 |
| Density: | 1.427 g/cm3 |
| Melting Point: | 55-59 °C |
| Boiling Point: | 439 °C at 760 mmHg |
| Flash Point: | 219.3 °C |
| Solubility: | N/A |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | N/A |
| Safety: | |
| Transport Information: | N/A |
| PSA: | 82.91000 |
| LogP: | -0.06970 |
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The Folcisteine, with the CAS registry number 5025-82-1, is also known as 3-Acetylthiazolidine-4-carboxylic acid. Its EINECS number is 225-713-6. This chemical's molecular formula is C6H9NO3S and molecular weight is 175.21. What's more, its systematic name is 3-Acetyl-1,3-thiazolidine-4-carboxylic acid. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light.
Physical properties of Folcisteine are: (1)ACD/LogP: 2.206; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.02; (4)ACD/LogD (pH 7.4): -1.39; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.26; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 82.91 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 40.876 cm3; (15)Molar Volume: 122.756 cm3; (16)Polarizability: 16.205×10-24cm3; (17)Surface Tension: 62.2 dyne/cm; (18)Density: 1.427 g/cm3; (19)Flash Point: 219.288 °C; (20)Enthalpy of Vaporization: 76.294 kJ/mol; (21)Boiling Point: 438.98 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1N(C(=O)C)CSC1
(2)Std. InChI: InChI=1S/C6H9NO3S/c1-4(8)7-3-11-2-5(7)6(9)10/h5H,2-3H2,1H3,(H,9,10)
(3)Std. InChIKey: WXTBYSIPOKXCPM-UHFFFAOYSA-N
