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| CAS No.: | 26475-62-7 |
|---|---|
| Name: | 4-(2-HYDROXYETHYL)THIOMORPHOLINE 1,1-DIOXIDE |
| Molecular Structure: | |
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| Formula: | C6H13NO3S |
| Molecular Weight: | 179.24 |
| Synonyms: | 2-(1,1-Dioxothiomorpholino)ethanol;4-(2-Hydroxyethyl)thiomorpholine-1,1-dioxide;4-Thiomorpholineethanol-1-dioxide;1-Dixoide-4-thiomorpholineethanol; |
| Density: | 1.288 g/cm3 |
| Melting Point: | 74 °C |
| Boiling Point: | 403.076 °C at 760 mmHg |
| Flash Point: | 197.574 °C |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | R20/21/22; R36/37/38; R36; R22 |
| PSA: | 65.99000 |
| LogP: | -0.27220 |
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Specification
The CAS register number of 4-Thiomorpholineethanol,1,1-dioxide is 26475-62-7. It also can be called as 4-(2-Hydroxyethyl)thiomorpholine-1,1-dioxide and the systematic name about this chemical is 2-(1,1-dioxidothiomorpholin-4-yl)ethanol. The molecular formula about this chemical is C6H13NO3S and the molecular weight is 179.24.
Physical properties about 4-Thiomorpholineethanol,1,1-dioxide are: (1)ACD/LogP: -1.26; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 3; (5)ACD/KOC (pH 7.4): 4; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 65.99 Å2; (10)Index of Refraction: 1.516; (11)Molar Refractivity: 42.016 cm3; (12)Molar Volume: 139.168 cm3; (13)Polarizability: 16.657x10-24cm3; (14)Surface Tension: 46.654 dyne/cm; (15)Density: 1.288 g/cm3; (16)Flash Point: 197.574 °C; (17)Enthalpy of Vaporization: 75.624 kJ/mol; (18)Boiling Point: 403.076 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S1(=O)CCN(CCO)CC1
(2)InChI: InChI=1/C6H13NO3S/c8-4-1-7-2-5-11(9,10)6-3-7/h8H,1-6H2
(3)InChIKey: GILLKIJFJOBJCD-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H13NO3S/c8-4-1-7-2-5-11(9,10)6-3-7/h8H,1-6H2
(5)Std. InChIKey: GILLKIJFJOBJCD-UHFFFAOYSA-N