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CAS No.: | 21593-77-1 |
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Name: | S-ALLYL-L-CYSTEINE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C6H11NO2S |
Molecular Weight: | 161.225 |
Synonyms: | Alanine,3-(allylthio)- (6CI,7CI);Alanine, 3-(allylthio)-, L- (8CI);L-Cysteine,S-2-propenyl- (9CI);(+)-S-Allylcysteine;3-(Allylthio)-L-alanine;Deoxyalliin;NSC 96449;S-(2-Propenyl)-L-cysteine;S-2-Propenylcysteine;S-Allyl-L-cysteine;S-Allylcysteine; |
Density: | 1.191g/cm3 |
Melting Point: | 235-236℃ |
Boiling Point: | 300.331 °C at 760 mmHg |
Flash Point: | 135.435 °C |
Hazard Symbols: | Xi |
Risk Codes: | 43 |
Safety: | 36/37 |
PSA: | 88.62000 |
LogP: | 1.01780 |
The L-Cysteine,S-2-propen-1-yl-, with CAS registry number 21593-77-1, belongs to the following product category: Amino acids methyl、ethyl、t-butyl series. It has the systematic name of S-prop-2-en-1-yl-L-cysteine. Besides this, it is also called S-Allyl-l-cysteine. And the chemical formula of this chemical is C6H11NO2S.
Physical properties of L-Cysteine,S-2-propen-1-yl-: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 88.62 Å2; (7)Index of Refraction: 1.543; (8)Molar Refractivity: 42.627 cm3; (9)Molar Volume: 135.318 cm3; (10)Polarizability: 16.899×10-24cm3; (11)Surface Tension: 49.393 dyne/cm; (12)Density: 1.191 g/cm3; (13)Flash Point: 135.435 °C; (14)Enthalpy of Vaporization: 59.441 kJ/mol; (15)Boiling Point: 300.331 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](N)CSC\C=C
(2)InChI: InChI=1/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1
(3)InChIKey: ZFAHNWWNDFHPOH-YFKPBYRVBL
(4)Std. InChI: InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1
(5)Std. InChIKey: ZFAHNWWNDFHPOH-YFKPBYRVSA-N