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CAS No.: | 3054-01-1 |
---|---|
Name: | S-Benzyl-L-cysteine |
Article Data: | 46 |
Molecular Structure: | |
Formula: | C10H13NO2S |
Molecular Weight: | 211.285 |
Synonyms: | Alanine,3-(benzylthio)-, L- (8CI);(R)-S-Benzylcysteine;(S)-S-Benzylcysteine;3-Benzylthioalanine;L-S-Benzylcysteine;NSC 523123;S-Benzyl-(R)-cysteine;S-Benzylcysteine;H-Cys(Bzl)-OH; |
EINECS: | 221-273-4 |
Density: | 1.258 g/cm3 |
Melting Point: | 214 °C (dec.)(lit.) |
Boiling Point: | 379.2 °C at 760 mmHg |
Flash Point: | 183.2 °C |
Appearance: | White powder |
Risk Codes: | 36/37/38 |
Safety: | 22-24/25 |
PSA: | 88.62000 |
LogP: | 2.03200 |
The L-Cysteine,S-(phenylmethyl)-, with the CAS registry number 3054-01-1, is also known as S-Benzyl-L-cysteine. It belongs to the product categories of Amino Acids; Amino Acids Derivatives; Protected Amino Acid & Peptides; Chiral Reagent; Cysteine [Cys, C]; Amino Acids and Derivatives; Cysteine/Cystine; Amino Acid Derivatives; Peptide Synthesis. Its EINECS registry number is 221-273-4. This chemical's molecular formula is C10H13NO2S and molecular weight is 211.28. What's more, its IUPAC name is 2-Amino-3-benzylsulfanylpropanoic acid and systematic name is called S-Benzyl-L-cysteine. It is white powder. It can be used as biochemical reagents and intermediate.
Physical properties about L-Cysteine,S-(phenylmethyl)- are: (1) ACD/LogP: 2.10; (2) # of Rule of 5 Violations: 0; (3) ACD/KOC (pH 5.5): 1.05; (4) ACD/KOC (pH 7.4): 1; (5) #H bond acceptors: 3; (6) #H bond donors: 3; (7) #Freely Rotating Bonds: 6; (8) Polar Surface Area: 54.84 Å2; (9) Index of Refraction: 1.608; (10) Molar Refractivity: 58.12 cm3; (11) Molar Volume: 167.9 cm3; (12) Surface Tension: 57.4 dyne/cm; (13) Density: 1.258 g/cm3; (14)Flash Point: 183.2 °C; (15) Enthalpy of Vaporization: 66.17 kJ/mol; (16) Boiling Point: 379.2 °C at 760 mmHg; (17) Vapour Pressure: 1.99E-06 mmHg at 25 °C; (18) Melting Point: 209-214 ºC.
When you are dealing with this chemical, you should be very careful. The gas of this chemical can not be breathed. In addition, you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](N)CSCc1ccccc1
(2) InChI: InChI=1/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
(3) InChIKey: GHBAYRBVXCRIHT-VIFPVBQEBA