Products Categories
CAS No.: | 21071-27-2 |
---|---|
Name: | N-HEXYLTHIOUREA |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H16N2S |
Molecular Weight: | 160.28 |
Synonyms: | Thiourea,hexyl- (9CI);Hexylthiourea;N-Hexylthiourea;Urea, 1-hexyl-2-thio- (6CI,7CI,8CI); |
Density: | 0.992 g/cm3 |
Melting Point: | 82-83°C |
Boiling Point: | 240.8 °C at 760 mmHg |
Flash Point: | 99.4 °C |
Hazard Symbols: | R20/22:Harmful by inhalation and if swallowed.; |
Risk Codes: | 23/24/25 |
Safety: | 22-36/37/39 |
Transport Information: | 2811 |
PSA: | 70.14000 |
LogP: | 2.49110 |
This chemical is called Thiourea, N-hexyl-, and its systematic name is 1-Hexylthiourea. With the molecular formula of C7H16N2S, its molecular weight is 160.28. The CAS registry number of this chemical is 21071-27-2. In addition, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the Thiourea, N-hexyl- can be summarised as followings: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 17.74; (6)ACD/BCF (pH 7.4): 17.74; (7)ACD/KOC (pH 5.5): 272.68; (8)ACD/KOC (pH 7.4): 272.69; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.57 Å2; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 48.89 cm3; (15)Molar Volume: 161.5 cm3; (16)Polarizability: 19.38×10-24cm3; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 0.992 g/cm3; (19)Flash Point: 99.4 °C; (20)Enthalpy of Vaporization: 47.77 kJ/mol; (21)Boiling Point: 240.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0372 mmHg at 25°C.
Uses of this chemical: The Thiourea, N-hexyl- could react with 3-chloro-pentane-2,4-dione, and obtain the 2-(n-Hexylamino)-4-methyl-5-acetylthiazole hydrochloride. This reaction needs the solvent of ethanol. The yield is 70 %. The other condition is heating.
When you are using this chemical, please be cautious about it as the following: This chemical is toxic by inhalation, in contacting with skin and if swallowed. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: S=C(NCCCCCC)N
2.InChI: InChI=1/C7H16N2S/c1-2-3-4-5-6-9-7(8)10/h2-6H2,1H3,(H3,8,9,10)
3.InChIKey: LMYQWQCDUHNQLF-UHFFFAOYAZ