Basic information
- Name:
4-Thiazolidinecarboxylicacid, 3-acetyl-
- Superlist Name:
- Folcisteine
- CAS No.:
5025-82-1
- Molecular Structure:
- Formula:
- C6H9NO3S
- Molecular Weight:
- 175.21
- Deleted CAS:
- 118014-14-5
- Synonyms:
- Aminofol;N-Acetyl-1,3-thiazolidine-4-carboxylic acid;N-Acetyl-4-thiazolidinecarboxylic acid;NSC 146111;3-acetyl-1,3-thiazolidine-4-carboxylic acid;
- EINECS:
- 225-713-6
- Density:
- 1.427 g/cm3
- Boiling Point:
- 439 °C at 760 mmHg
- Flash Point:
- 219.3 °C
- Hazard Symbols:
Xi
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Specification
The Folcisteine, with the CAS registry number 5025-82-1 and EINECS registry number 225-713-6, has the systematic name of 3-acetyl-1,3-thiazolidine-4-carboxylic acid. It is a kind of irritant chemical, and should be stored in sealed containers, and should keep dry and cool at the same time. The molecular formula of the chemical is C6H9NO3S.
The physical properties of Folcisteine are as followings: (1)ACD/LogP: -0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.16; (4)ACD/LogD (pH 7.4): -4.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.91 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 40.87 cm3; (15)Molar Volume: 122.7 cm3; (16)Polarizability: 16.2×10-24cm3; (17)Surface Tension: 62.1 dyne/cm; (18)Density: 1.427 g/cm3; (19)Flash Point: 219.3 °C; (20)Enthalpy of Vaporization: 76.29 kJ/mol; (21)Boiling Point: 439 °C at 760 mmHg; (22)Vapour Pressure: 6.21E-09 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)InChI: InChI=1/C6H9NO3S/c1-4(8)7-3-11-2-5(7)6(9)10/h5H,2-3H2,1H3,(H,9,10)
(3)InChIKey: WXTBYSIPOKXCPM-UHFFFAOYAX