Basic information
- Name:
4-Thiazolidinecarboxylicacid, 3-acetyl-, (4R)-
- Superlist Name:
- N-Acetyl-L-thioproline
- CAS No.:
54323-50-1
- Molecular Structure:
- Formula:
- C6H9NO3S
- Molecular Weight:
- 175.21
- Synonyms:
- 4-Thiazolidinecarboxylicacid, 3-acetyl-, (R)-;(R)-3-Acetylthiazolidine-4-carboxylic acid;N-Acetyl-L-thiaproline;
- EINECS:
- 259-102-0
- Density:
- 1.427 g/cm3
- Boiling Point:
- 439 °C at 760 mmHg
- Flash Point:
- 219.3 °C
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Specification
This chemical is called N-Acetyl-L-thioproline, and it can also be named as (R)-3-Acetyl-1,3-thiazolidine-4-carboxylic acid. With the molecular formula of C6H9NO3S, its molecular weight is 175.21. The CAS registry number of this chemical is 54323-50-1, and it's white crystals or crystalline powder.
Other characteristics of the N-Acetyl-L-thioproline can be summarised as followings: (1)ACD/LogP: -0.59; (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: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 71.91 Å2; (11)Index of Refraction: 1.58; (12)Molar Refractivity: 40.87 cm3; (13)Molar Volume: 122.7 cm3; (14)Polarizability: 16.2×10-24cm3; (15)Surface Tension: 62.1 dyne/cm; (16)Density: 1.427 g/cm3; (17)Flash Point: 219.3 °C; (18)Enthalpy of Vaporization: 76.29 kJ/mol; (19)Boiling Point: 439 °C at 760 mmHg; (20)Vapour Pressure: 6.21E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)[C@H]1N(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)/t5-/m0/s1
3.InChIKey: WXTBYSIPOKXCPM-YFKPBYRVBD