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| CAS No.: | 15579-00-7 |
|---|---|
| Name: | 3-[(2-AMINOETHYL)DITHIO]PROPIONIC ACID |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C5H11NO2S2 |
| Molecular Weight: | 181.28 |
| Synonyms: | 3-[(2-Aminoethyl)disulfanyl]propanoic acid; |
| Density: | 1.32 g/cm3 |
| Melting Point: | 138-141 °C |
| Boiling Point: | 339.5 °C at 760 mmHg |
| Flash Point: | 159.1 °C |
| Appearance: | white solid |
| PSA: | 113.92000 |
| LogP: | 1.50150 |
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Specification
The Propanoic acid, 3-[(2-aminoethyl)dithio]-, with the CAS registry number 15579-00-7, belongs to the product categories of Nitric Oxide Reagents; Cross Linking Reagents. This chemical's molecular formula is C5H11NO2S2 and molecular weight is 181.28. What's more, its systematic name is 3-[(2-Aminoethyl)disulfanyl]propanoic acid. In addition, it is a useful reversible immobilization or crossliking reagent.
Physical properties about Propanoic acid, 3-[(2-aminoethyl)dithio]- are: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.51; (4)ACD/LogD (pH 7.4): -1.51; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 80.14 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 46.3 cm3; (15)Molar Volume: 137.3 cm3; (16)Polarizability: 18.35×10-24 cm3; (17)Surface Tension: 60.6 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 159.1 °C; (20)Enthalpy of Vaporization: 64.07 kJ/mol; (21)Boiling Point: 339.5 °C at 760 mmHg; (22)Vapour Pressure: 1.69E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCSSCCN
(2) InChI: InChI=1/C5H11NO2S2/c6-2-4-10-9-3-1-5(7)8/h1-4,6H2,(H,7,8)
(3) InChIKey: HMMFDEBVQNRZLJ-UHFFFAOYAR