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| CAS No.: | 3262-64-4 |
|---|---|
| Name: | (L)-3-(PROPARGYLSULFENYL)-ALANINE |
| Molecular Structure: | |
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| Formula: | C6H9NO2S |
| Molecular Weight: | 159.209 |
| Synonyms: | Alanine,3-(2-propynylthio)- (6CI);L-Cysteine, S-2-propynyl- (9CI);S-Propargylcysteine; |
| Density: | 1.284 g/cm3 |
| Melting Point: | 176-178 °C (decomp) |
| Boiling Point: | 294.8 °C at 760 mmHg |
| Flash Point: | 132.1 °C |
| PSA: | 88.62000 |
| LogP: | 0.46500 |
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Specification
This chemical is called L-Cysteine,S-2-propyn-1-yl-, and its systematic name is S-prop-2-yn-1-yl-L-cysteine. With the molecular formula of C6H9NO2S, its molecular weight is 159.21. The CAS registry number of the chemical is 3262-64-4.
Other characteristics of L-Cysteine,S-2-propyn-1-yl- can be summarised as followings: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 88.62 Å2; (11)Index of Refraction: 1.57; (12)Molar Refractivity: 40.72 cm3; (13)Molar Volume: 123.9 cm3; (14)Polarizability: 16.14×10-24cm3; (15)Surface Tension: 62.5 dyne/cm; (16)Density: 1.284 g/cm3; (17)Flash Point: 132.1 °C; (18)Enthalpy of Vaporization: 58.8 kJ/mol; (19)Boiling Point: 294.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000385 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)[C@@H](N)CSCC#C
2.InChI: InChI=1/C6H9NO2S/c1-2-3-10-4-5(7)6(8)9/h1,5H,3-4,7H2,(H,8,9)/t5-/m0/s1
3.InChIKey: JAKVEOCMEMGHGB-YFKPBYRVBB
4.Std. InChI: InChI=1S/C6H9NO2S/c1-2-3-10-4-5(7)6(8)9/h1,5H,3-4,7H2,(H,8,9)/t5-/m0/s1
5.Std. InChIKey: JAKVEOCMEMGHGB-YFKPBYRVSA-N