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Propanoic acid,2-mercapto-, propyl ester

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Name

Propanoic acid,2-mercapto-, propyl ester

EINECS N/A
CAS No. 19788-50-2 Density 1.019 g/cm3
PSA 65.10000 LogP 1.25790
Solubility N/A Melting Point N/A
Formula C6H12O2S Boiling Point 193.134 °C at 760 mmHg
Molecular Weight 148.226 Flash Point 74.448 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 19788-50-2 (PROPYL2-MERCAPTOPROPIONATE) Hazard Symbols N/A
Synonyms

Propionicacid, 2-mercapto-, propyl ester (8CI);

 

Propanoic acid,2-mercapto-, propyl ester Specification

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

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