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(3R)-Thiomorpholinecarboxylic acid

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Name

(3R)-Thiomorpholinecarboxylic acid

EINECS N/A
CAS No. 65527-54-0 Density 1.288 g/cm3
PSA 74.63000 LogP 0.10480
Solubility N/A Melting Point N/A
Formula C5H9NO2S Boiling Point 334.6 °C at 760 mmHg
Molecular Weight 147.198 Flash Point 156.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 65527-54-0 ((3R)-Thiomorpholinecarboxylic acid) Hazard Symbols N/A
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;

Article Data 8

(3R)-Thiomorpholinecarboxylic acid 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

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