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CAS No.: | 2481-10-9 |
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Name: | D-S-tert-Butylcysteine |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C7H15NO2S |
Molecular Weight: | 177.268 |
Synonyms: | Alanine,3-(tert-butylthio)- (7CI);Alanine, 3-(tert-butylthio)-, L- (8CI);S-tert-Butyl-L-cysteine;S-tert-Butylcysteine; |
Density: | 1.13 g/cm3 |
Melting Point: | 193 °C (decomp) |
Boiling Point: | 293.5 °C at 760 mmHg |
Flash Point: | 131.3 °C |
PSA: | 88.62000 |
LogP: | 1.63030 |
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The CAS register number of D-S-tert-Butylcysteine is 2481-10-9. It also can be called as (R)-2-Amino-3-(St-butylthio)propanoic acid and the systematic name about this chemical is (2S)-2-ammonio-3-(tert-butylsulfanyl)propanoate. The molecular formula about this chemical is C7H15NO2S and molecular weight is 177.26. It belongs to the following product categories which include Amino Acids; Chiral Reagent and so on.
Physical properties about D-S-tert-Butylcysteine are: (1)ACD/LogP: 1.61; (2)#H bond acceptors: 3; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 62.6Å2; (6)Index of Refraction: 1.517; (7)Molar Refractivity: 47.5 cm3; (8)Molar Volume: 156.7 cm3; (9)Polarizability: 18.83x10-24cm3; (10)Surface Tension: 44.3 dyne/cm; (11)Enthalpy of Vaporization: 58.65 kJ/mol; (12)Boiling Point: 293.5 °C at 760 mmHg; (13)Vapour Pressure: 0.000421 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)[C@H]([NH3+])CSC(C)(C)C
(2)InChI: InChI=1/C7H15NO2S/c1-7(2,3)11-4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m1/s1
(3)InChIKey: VADVRIAPCDFQJU-RXMQYKEDBZ
(4)Std. InChI: InChI=1S/C7H15NO2S/c1-7(2,3)11-4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m1/s1
(5)Std. InChIKey: VADVRIAPCDFQJU-RXMQYKEDSA-N