1-Propanethiol,3-amino- (6CI,7CI,8CI,9CI) (462-47-5)

The 3-Aminopropane-1-thiol with the cas number 462-47-5 is also called 1-Propanethiol,3-amino- (6CI,7CI,8CI,9CI). Its EINECS registry number is 207-326-4. The molecular formula is C₃H₉NS. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.78; (4)ACD/LogD (pH 7.4): -1.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 28.54 Å²; (13)Index of Refraction: 1.483; (14)Molar Refractivity: 27.37 cm³; (15)Molar Volume: 95.7 cm³; (16)Polarizability: 10.85×10^-24cm³; (17)Surface Tension: 34.6 dyne/cm; (18)Enthalpy of Vaporization: 38.82 kJ/mol ; (19)Vapour Pressure: 3.67 mmHg at 25°C.

Preparation: This chemical can be prepared by [1,3]thiazinane-2-thione. This reaction needs reagent NaOH and solvent H₂O at heating condition. The reaction time is 1.0 hours. The yield is 95%.

Uses: This chemical can react with formaldehyde to product [1,3]thiazinane. This reaction needs solvent benzene at heating condition. The reaction time is 6.0 hours. The yield is 55%.

You can still convert the following datas into molecular structure:
(1)SMILES: SCCCN
(2)InChI: InChI=1/C3H9NS/c4-2-1-3-5/h5H,1-4H2
(3)InChIKey: IYGAMTQMILRCCI-UHFFFAOYAU

The toxicity data is as follows: