Ethanethiol,1-(methylthio)- (8CI,9CI) (31331-53-0)

The 1-(Methylthio)ethanethiol with the cas number 31331-53-0 is also called Ethanethiol,1-(methylthio)- (8CI,9CI). The IUPAC name is 1-methylsulfanylethanethiol. Its molecular formula is C₃H₈S₂. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 9.13; (6)ACD/BCF (pH 7.4): 8.38; (7)ACD/KOC (pH 5.5): 169.41; (8)ACD/KOC (pH 7.4): 155.45; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 50.6 Å²; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 31.79 cm³; (15)Molar Volume: 106.4 cm³; (16)Polarizability: 12.6×10^-24cm³; (17)Surface Tension: 31.1 dyne/cm; (18)Enthalpy of Vaporization: 35.51 kJ/mol; (19)Vapour Pressure: 10.7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: SC(SC)C
(2)InChI: InChI=1/C3H8S2/c1-3(4)5-2/h3-4H,1-2H3
(3)InChIKey: GHIADNFHCKUPJL-UHFFFAOYAL