Cas 6881-49-8 Peptides Steroids 2H-Thiopyran-3,5(4H,6H)-Dione ISO9001

The 2H-Thiopyran-3,5(4H,6H)-dione, with the CAS registry number 6881-49-8, is also known as NSC293807. This chemical's molecular formula is C₅H₆O₂S and molecular weight is 130.01. Its IUPAC name is called thiane-3,5-dione.

Physical properties of 2H-Thiopyran-3,5(4H,6H)-dione: (1) ACD/LogP: -0.69; (2) #H bond acceptors: 2; (3) #H bond donors: 0; (4) #Freely Rotating Bonds: 0; (5) Index of Refraction: 1.549; (6) Molar Refractivity: 31.48 cm³; (7) Molar Volume: 98.9 cm³; (8) Surface Tension: 50.2 dyne/cm; (9) Density: 1.315 g/cm³; (10) Flash Point: 120.3 °C; (11) Enthalpy of Vaporization: 49.55 kJ/mol; (12) Boiling Point: 257.9 °C at 760 mmHg; (13) Vapour Pressure: 0.0141 mmHg at 25°C.

You can still convert the following datas into molecular structure:

(1) Canonical SMILES: C1C(=O)CSCC1=O

(2) InChI: InChI=1S/C5H6O2S/c6-4-1-5(7)3-8-2-4/h1-3H2

(3) InChIKey: VDHPFHUCOPGRLS-UHFFFAOYSA-N