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| CAS No.: | 65527-54-0 |
|---|---|
| Name: | (3R)-Thiomorpholinecarboxylic acid |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C5H9NO2S |
| Molecular Weight: | 147.198 |
| Synonyms: | 3-Thiomorpholinecarboxylicacid, (R)-;(3R)-Thiomorpholine-3-carboxylic acid;(R)-Thiomorpholine-3-carboxylic acid;Chordarine;L-1,4-Thiazane-3-carboxylicacid;L-g-Thiapipecolic acid; |
| Density: | 1.288 g/cm3 |
| Boiling Point: | 334.6 °C at 760 mmHg |
| Flash Point: | 156.1 °C |
| PSA: | 74.63000 |
| LogP: | 0.10480 |
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- Total:17 Page 1 of 1 1
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Specification
The (3R)-Thiomorpholinecarboxylic acid, with the CAS registry number 65527-54-0, has the systematic name and IUPAC name of (3R)-thiomorpholine-3-carboxylic acid. It belongs to the product categories of Carboxylicacid and Pharmacetical. And the molecular formula of the chemical is C5H9NO2S.
The characteristics of this chemical are as followings: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.61; (4)ACD/LogD (pH 7.4): -2.62; (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: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.84 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 36.06 cm3; (15)Molar Volume: 114.2 cm3; (16)Polarizability: 14.29×10-24cm3; (17)Surface Tension: 48.5 dyne/cm; (18)Density: 1.288 g/cm3; (19)Flash Point: 156.1 °C; (20)Enthalpy of Vaporization: 63.48 kJ/mol; (21)Boiling Point: 334.6 °C at 760 mmHg; (22)Vapour Pressure: 2.41E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)[C@H]1NCCSC1
(2)InChI: InChI=1/C5H9NO2S/c7-5(8)4-3-9-2-1-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
(3)InChIKey: JOKIQGQOKXGHDV-BYPYZUCNBV