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4-Thiomorpholineaceticacid, 1,1-dioxide

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Name

4-Thiomorpholineaceticacid, 1,1-dioxide

EINECS N/A
CAS No. 155480-08-3 Density 1.417 g/cm3
PSA 83.06000 LogP -0.17990
Solubility N/A Melting Point 177 °C
Formula C6H11NO4S Boiling Point 456.9 °C at 760 mmHg
Molecular Weight 193.2208 Flash Point 230.1 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 155480-08-3 ((1,1-DIOXOTHIOMORPHOLINO)ACETIC ACID MONOHYDRATE) Hazard Symbols IrritantXi
Synonyms

(1,1-Dioxothiomorpholin-4-yl)aceticacid;4-Thiomorpholinoacetic acid 1,1-dioxide;

Article Data 3

4-Thiomorpholineaceticacid, 1,1-dioxide Specification

The 4-Thiomorpholineaceticacid, 1,1-dioxide, with the CAS registry number 155480-08-3, is also known as Thiomorpholinoacetic acid 1',1'-dioxide monohydrate. This chemical's molecular formula is C6H11NO4S and molecular weight is 193.22. Its systematic name is called (1,1-dioxidothiomorpholin-4-yl)acetic acid.

Physical properties of 4-Thiomorpholineaceticacid, 1,1-dioxide: (1)ACD/LogP: -0.99; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.53; (10)Molar Refractivity: 42.13 cm3; (11)Molar Volume: 136.2 cm3; (12)Surface Tension: 53.6 dyne/cm; (13)Density: 1.417 g/cm3; (14)Flash Point: 230.1 °C; (15)Enthalpy of Vaporization: 78.57 kJ/mol; (16)Boiling Point: 456.9 °C at 760 mmHg; (17)Vapour Pressure: 1.28E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S1(=O)CCN(CC(=O)O)CC1
(2)InChI: InChI=1/C6H11NO4S/c8-6(9)5-7-1-3-12(10,11)4-2-7/h1-5H2,(H,8,9)
(3)InChIKey: CEABBIBOUBCOPV-UHFFFAOYAN

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