The Thiomorpholine-1,1-dioxide hydrochloride with the CAS number 59801-62-6 is also called Thiomorpholine dioxide hydrogen chloride. Its molecular formula is C4H9NO2S.HCl. This chemical is irritant. While using this chemical, you should be very cautious. It is white to light yellow solid.
The properties of the Thiomorpholine-1,1-dioxide hydrochloride are: (1)# of Rule of 5 Violations: 0; (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): 3; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 54.55 Å2; (10)Enthalpy of Vaporization: 61.03 kJ/mol; (11)Vapour Pressure: 2.48×10-5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=S1(=O)CCNCC1
(2)InChI: InChI=1/C4H9NO2S.ClH/c6-8(7)3-1-5-2-4-8;/h5H,1-4H2;1H
(3)InChIKey: UOMTVKMKHZMFMQ-UHFFFAOYAK
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