3-Aminosulfolane hydrochloride supplier

Name
3-AMINOTETRAHYDRO-1H-1LAMBDA6-THIOPHENE-1,1-DIONE HYDROCHLORIDE
EINECS
CAS No. 51642-03-6
Article Data5
CAS DataBase
Density 1.314g/cm³
Solubility
Melting Point 208 °C
Formula C₄H₁₀ClNO₂S
Boiling Point 334.9 °C at 760 mmHg
Molecular Weight 171.648
Flash Point 156.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Thiophenamine,tetrahydro-, 1,1-dioxide, hydrochloride (9CI);3-Aminosulfolane hydrochloride;Tetrahydro-3-thiophenamine 1,1-dioxide hydrochloride;
PSA 68.54000
LogP 1.71530

3-Aminosulfolane hydrochloride Specification

The 3-Thiophenamine, tetrahydro-, 1, 1-dioxide, hydrochloride (1:1), with the CAS registry number 51642-03-6, is also known as tetrahydrothiophen-3-aminium 1,1-dioxide chloride. Its molecular formula is C₄H₁₀ClNO₂S and its molecular weight is 171.65. What's more, it has the IUPAC name 1, 1-Dioxothiolan-3-amine hydrochloride. As this chemical is irritant, please be careful if you use it.

Other characteristics of the 3-Thiophenamine, tetrahydro-, 1, 1-dioxide, hydrochloride (1:1) can be summarised as followings: (1)ACD/LogP: -1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.35; (4)ACD/LogD (pH 7.4): -1.94; (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): 1.75; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.52 Å²; (13)Flash Point: 156.3 °C; (14)Enthalpy of Vaporization: 57.79 kJ/mol; (15)Boiling Point: 334.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000124 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].O=S1(=O)CCC([NH3+])C1
(2) InChI: InChI=1/C4H9NO2S.ClH/c5-4-1-2-8(6,7)3-4;/h4H,1-3,5H2;1H
(3) InChIKey: MGZQMSFXPSKBDY-UHFFFAOYAT

Product Name

3-AMINOTETRAHYDRO-1H-1LAMBDA6-THIOPHENE-1,1-DIONE HYDROCHLORIDE

3-Aminosulfolane hydrochloride Specification

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