Sodium thiophenolate (930-69-8)

The cas register number of Sodium thiophenolate is 930-69-8. It also can be called as Benzenethiol, sodium salt and the Systematic name about this chemical is sodium benzenethiolate.

Physical properties about Sodium thiophenolate are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.49; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 44.97; (6)ACD/BCF (pH 7.4): 6.83; (7)ACD/KOC (pH 5.5): 519.58; (8)ACD/KOC (pH 7.4): 78.9; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.8Ų; (13)Flash Point: 50.6 °C; (14)Enthalpy of Vaporization: 39.93 kJ/mol; (15)Boiling Point: 169.1 °C at 760 mmHg; (16)Vapour Pressure: 2.07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It can causes burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. So people must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1.SMILES: [Na+].[S-]c1ccccc1
2.InChI: InChI=1/C6H6S.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1 
3.InChIKey: RZWQDAUIUBVCDD-REWHXWOFAQ
4.Std. InChI: InChI=1S/C6H6S.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1.