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CAS No.: | 16214-16-7 |
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Name: | Cystamine sulfate |
Molecular Structure: | |
Formula: | C4H14N2O4S3 |
Molecular Weight: | 250.35 |
Synonyms: | cystamine sulfate;2,2'-dithiobis(ethylammonium) sulphate;CystamineSulphate;Cystamine sulphate; |
EINECS: | 240-340-9 |
Density: | 1.172g/cm3 |
Melting Point: | 800?°C (dec.)(lit.) |
Boiling Point: | 464.6 °C at 760 mmHg |
Flash Point: | 234.8 °C |
Hazard Symbols: | F |
Risk Codes: | R15; R36 |
PSA: | 212.62000 |
LogP: | 1.57840 |
This chemical is called Cystamine sulfate, and it can also be named as 2,2'-Dithiobis(ethylammonium) sulphate. With the molecular formula of C4H14N2O4S3, its CAS registry number is 16214-16-7. Additionally, it's used for the synthesis of heparin antagonist, fructose diphosphatase.
Other characteristics of the Cystamine sulfate can be summarised as followings: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 7; (9)Polar Surface Area: 185.62 Å2; (10)Flash Point: 234.8 °C; (11)Enthalpy of Vaporization: 79.55 kJ/mol; (12)Boiling Point: 464.6 °C at 760 mmHg; (13)Vapour Pressure: 6.43E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: NCCSSCCN.OS(O)(=O)=O
2.InChI: InChI=1/C4H12N2S2.H2O4S/c5-1-3-7-8-4-2-6;1-5(2,3)4/h1-6H2;(H2,1,2,3,4)
3.InChIKey: XVCYODCCYCPADG-UHFFFAOYAO