3-HYDROXYTETRAHYDRO-1H-1LAMBDA6-THIOPHENE-1,1-DIONE

The Thiophene-3-ol,tetrahydro-, 1,1-dioxide, with CAS registry number 13031-76-0, has the systematic name of tetrahydrothiophene-3-ol 1,1-dioxide. Besides this, it is also called 3-Hydroxytetrahydro-1h-1lambda6-thiophene-1,1-dione. Its classification code is Drug / Therapeutic Agent. And the chemical formula of this chemical is C₄H₈O₃S.

Physical properties of Thiophene-3-ol,tetrahydro-, 1,1-dioxide: (1)ACD/LogP: -1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.83; (4)ACD/LogD (pH 7.4): -1.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.4; (8)ACD/KOC (pH 7.4): 2.4; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.75 Å²; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 28.84 cm³; (15)Molar Volume: 92.2 cm³; (16)Polarizability: 11.43×10^-24cm³; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.475 g/cm³; (19)Flash Point: 184.8 °C; (20)Enthalpy of Vaporization: 72.91 kJ/mol; (21)Boiling Point: 382 °C at 760 mmHg; (22)Vapour Pressure: 2.09E-07 mmHg at 25°C.

Uses of Thiophene-3-ol,tetrahydro-, 1,1-dioxide: it can be used to produce 2,2-dichloro-3-oxothiolane. This reaction will need reagent Cl₂ and solvent CH₂Cl₂. The reaction time is 2 hour(s). The yield is about 40%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S1(=O)CCC(O)C1
(2)InChI: InChI=1/C4H8O3S/c5-4-1-2-8(6,7)3-4/h4-5H,1-3H2
(3)InChIKey: AMXKVIWWXBYXRS-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C4H8O3S/c5-4-1-2-8(6,7)3-4/h4-5H,1-3H2
(5)Std. InChIKey: AMXKVIWWXBYXRS-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	3500mg/kg (3500mg/kg)		Russian Pharmacology and Toxicology Vol. 41, Pg. 257, 1978.