- 4-Aminotetrahydro-2H-thiopyran 1,1-dioxide
- 4-Aminotetrahydro-2H-thiopyran 1,1-dioxide hydrochloride
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Cas Database |
| Name |
4-Aminotetrahydro-2H-thiopyran 1,1-dioxide hydrochloride |
EINECS | N/A |
| CAS No. | 116529-31-8 | Density | N/A |
| PSA | 68.54000 | LogP | 2.10540 |
| Solubility | Soluble in water | Melting Point |
289 °C |
| Formula | C5H11NO2S.HCl | Boiling Point | 339.7 °C at 760 mmHg |
| Molecular Weight | 185.675 | Flash Point | 159.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | 22 | |
| Molecular Structure |
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Hazard Symbols | Xn |
| Synonyms |
2H-Thiopyran-4-amine,tetrahydro-, 1,1-dioxide, hydrochloride (9CI);(1,1-Dioxido-tetrahydro-2H-thiopyran-4-yl)aminehydrochloride;(1,1-Dioxotetrahydro-2H-thiopyran-4-yl)amine hydrochloride;Tetrahydro-2H-thiopyran-4-amine-1,1-dioxide hydrochloride; |
Article Data | 8 |
4-Aminotetrahydro-2H-thiopyran 1,1-dioxide hydrochloride Specification
The 4-Aminotetrahydro-2H-thiopyran 1,1-dioxide hydrochloride with cas registry number of 116529-31-8, whose systematic name is tetrahydro-2H-thiopyran-4-amine 1,1-dioxide hydrochloride (1:1). And it is also named 2H-thiopyran-4-amine, tetrahydro-, 1,1-dioxide, hydrochloride (1:1).
Physical properties about this chemical are: (1)ACD/LogP: -1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.07; (4)ACD/LogD (pH 7.4): -2.4; (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: 45.76 Å2; (13)Enthalpy of Vaporization: 58.32 kJ/mol; (14)Vapour Pressure: 9.03E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O=S1(=O)CCC(N)CC1.Cl;
(2)InChI:InChI=1/C5H11NO2S.ClH/c6-5-1-3-9(7,8)4-2-5;/h5H,1-4,6H2;1H;
(3)InChIKey:XUECUYGAJXDZKG-UHFFFAOYAO;
(4)Std. InChI:InChI=1S/C5H11NO2S.ClH/c6-5-1-3-9(7,8)4-2-5;/h5H,1-4,6H2;1H;
(5)Std. InChIKey:XUECUYGAJXDZKG-UHFFFAOYSA-N
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