(3R)-Thiomorpholinecarboxylic acid supplier

Name
(3R)-Thiomorpholinecarboxylic acid
EINECS
CAS No. 65527-54-0
Article Data8
CAS DataBase
Density 1.288 g/cm³
Solubility
Melting Point
Formula C₅H₉NO₂S
Boiling Point 334.6 °C at 760 mmHg
Molecular Weight 147.198
Flash Point 156.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 74.63000
LogP 0.10480

(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

Product Name

(3R)-Thiomorpholinecarboxylic acid

(3R)-Thiomorpholinecarboxylic acid Specification

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