CAS No.19788-50-2,PROPYL2-MERCAPTOPROPIONATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	19788-50-2
Name:	PROPYL2-MERCAPTOPROPIONATE

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

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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