1,1-DIOXIDO-2,3-DIHYDROTHIEN-3-YLAMINE HYDROCHLORIDE

The 3-Thiophenamine,2,3-dihydro-, 1,1-dioxide, with the CAS registry number 56275-95-7, is also known as 2,3-Dihydrothiophen-3-amine 1,1-dioxide. It belongs to the product category of Boronic Acid. Its EINECS registry number is 230-307-7. This chemical's molecular formula is C₄H₇NO₂S and molecular weight is 243.3672. What's more, its IUPAC name is [1,1-Dioxo-2,3-dihydrothiophen-3-yl]azanium.

Physical properties about 3-Thiophenamine,2,3-dihydro-, 1,1-dioxide: (1)ACD/LogP: -1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.76; (4)ACD/LogD (pH 7.4): -1.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.48; (8)ACD/KOC (pH 7.4): 2.81; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.76 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 30.84 cm³; (15)Molar Volume: 96.1 cm³; (16)Surface Tension: 48.7 dyne/cm; (17)Density: 1.384 g/cm³; (18)Flash Point: 167.1 °C; (19)Enthalpy of Vaporization: 59.75 kJ/mol; (20)Boiling Point: 352.7 °C at 760 mmHg; (21)Vapour Pressure: 3.78E-05 mmHg at 25 °C.

Uses of 3-Thiophenamine,2,3-dihydro-, 1,1-dioxide: it is used to produce other chemicals. For example, it can react with Benzoyl isothiocyanate to get N-(5,5-Dioxo-hexahydro-5-thieno[3,4-d]thiazol-2-ylidene)-benzamide. The yield is 90%.

You can still convert the following datas into molecular structure:
(1) SMILES: S3CC(c1ccc2c(c1)cccc2)(N(C)C)C3
(2) InChI: InChI=1/C15H17NS/c1-16(2)15(10-17-11-15)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,10-11H2,1-2H3
(3) InChIKey: VFEOMGQQESHIDT-UHFFFAOYAO