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| CAS No.: | 210240-20-3 |
|---|---|
| Name: | 4-Aminotetrahydro-2H-thiopyran 1,1-dioxide |
| Molecular Structure: | |
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| Formula: | C5H11NO2S |
| Molecular Weight: | 149.214 |
| Synonyms: | (1,1-Dioxohexahydrothiopyran-4-yl)amine;1,1-Dioxotetrahydro-2H-thiopyran-4-amine;4-Aminotetrahydrothiopyran 1,1-dioxide;NSC 106913;Tetrahydro-2H-thiopyran-4-amine 1,1-dioxide; |
| Density: | 1.237g/cm3 |
| Boiling Point: | 339.7 °C at 760 mmHg |
| Flash Point: | 159.3 °C |
| PSA: | 68.54000 |
| LogP: | 1.30340 |
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Specification
The 4-Aminotetrahydro-2H-thiopyran 1,1-dioxide, with CAS registry number 210240-20-3, belongs to the following product category: Amineprimary. It has the systematic name of tetrahydro-2H-thiopyran-4-amine 1,1-dioxide. Besides this, it is also called 2H-thiopyran-4-amine, tetrahydro-, 1,1-dioxide. And the chemical formula of this chemical is C5H11NO2S.
Physical properties of 4-Aminotetrahydro-2H-thiopyran 1,1-dioxide: (1)ACD/LogP: -1.44; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 45.76 Å2; (7)Index of Refraction: 1.501; (8)Molar Refractivity: 35.56 cm3; (9)Molar Volume: 120.5 cm3; (10)Polarizability: 14.1×10-24cm3; (11)Surface Tension: 39.6 dyne/cm; (12)Enthalpy of Vaporization: 58.32 kJ/mol; (13)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
(2)InChI: InChI=1/C5H11NO2S/c6-5-1-3-9(7,8)4-2-5/h5H,1-4,6H2
(3)InChIKey: KZKYCKOUODFYBV-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C5H11NO2S/c6-5-1-3-9(7,8)4-2-5/h5H,1-4,6H2
(5)Std. InChIKey: KZKYCKOUODFYBV-UHFFFAOYSA-N