Products Categories
CAS No.: | 19788-50-2 |
---|---|
Name: | PROPYL2-MERCAPTOPROPIONATE |
Molecular Structure: | |
Formula: | C6H12O2S |
Molecular Weight: | 148.226 |
Synonyms: | Propionicacid, 2-mercapto-, propyl ester (8CI); |
Density: | 1.019 g/cm3 |
Boiling Point: | 193.134 °C at 760 mmHg |
Flash Point: | 74.448 °C |
PSA: | 65.10000 |
LogP: | 1.25790 |
What can I do for you?
Get Best Price
The CAS registry number of Propanoic acid,2-mercapto-, propyl ester is 19788-50-2. This chemical is also named as Propyl 2-mercaptopropionate. In addition, its molecular formula is C6H12O2S and molecular weight is 148.2233. Its systematic name is called propyl 2-sulfanylpropanoate.
Physical properties about Propanoic acid,2-mercapto-, propyl ester are: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 22; (6)ACD/BCF (pH 7.4): 19; (7)ACD/KOC (pH 5.5): 315; (8)ACD/KOC (pH 7.4): 279; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.455; (13)Molar Refractivity: 39.476 cm3; (14)Molar Volume: 145.483 cm3; (15)Surface Tension: 31.565 dyne/cm; (16)Density: 1.019 g/cm3; (17)Flash Point: 74.448 °C; (18)Enthalpy of Vaporization: 42.933 kJ/mol; (19)Boiling Point: 193.134 °C at 760 mmHg; (20)Vapour Pressure: 0.472 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCOC(=O)C(C)S
(2)InChI: InChI=1/C6H12O2S/c1-3-4-8-6(7)5(2)9/h5,9H,3-4H2,1-2H3
(3)InChIKey: SZNSBSIVODFXBS-UHFFFAOYAD