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Thiomorpholine-1,1-dioxide hydrochloride

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Name

Thiomorpholine-1,1-dioxide hydrochloride

EINECS N/A
CAS No. 59801-62-6 Density N/A
PSA 54.55000 LogP 1.21600
Solubility N/A Melting Point 307 °C (decomp)
Formula C4H9NO2S.HCl Boiling Point 353.6 °C at 760 mmHg
Molecular Weight 171.648 Flash Point 167.6 °C
Transport Information N/A Appearance white to light yellow solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 59801-62-6 (THIOMORPHOLINE 1,1-DIOXIDE HYDROCHLORIDE) Hazard Symbols N/A
Synonyms

Thiomorpholine,1,1-dioxide, hydrochloride (9CI);Thiomorpholine dioxide hydrogen chloride;

Article Data 7

Thiomorpholine-1,1-dioxide hydrochloride Specification

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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