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Cas Database |
| Name |
Boc-S-Benzyl-L-cysteinol |
EINECS | N/A |
| CAS No. | 139428-96-9 | Density | 1.135 g/cm3 |
| PSA | 83.86000 | LogP | 3.19630 |
| Solubility | N/A | Melting Point |
56-58 °C |
| Formula | C15H23NO3S | Boiling Point | 442.914 °C at 760 mmHg |
| Molecular Weight | 297.41 | Flash Point | 221.667 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Carbamicacid, [(1R)-1-(hydroxymethyl)-2-[(phenylmethyl)thio]ethyl]-, 1,1-dimethylethylester (9CI);Carbamic acid, [1-(hydroxymethyl)-2-[(phenylmethyl)thio]ethyl]-,1,1-dimethylethyl ester, (R)-;tert-butyl [(1R)-2-(benzylsulfanyl)-1-(hydroxymethyl)ethyl]carbamate;tert-Butyl [(2R)-1-(benzylsulfanyl)-3-hydroxypropan-2-yl]carbamate;Carbamic acid, N-[(1R)-2-hydroxy-1-[[(phenylmethyl)thio]methyl]ethyl]-, 1,1-dimethylethyl ester;boc-Cysteinol(bzl);Boc-S-Benzyl-L-cysteinol; |
Article Data | 6 |
Boc-S-Benzyl-L-cysteinol Specification
The Boc-S-Benzyl-L-cysteinol, with the CAS registry number 139428-96-9, has the systematic name of tert-butyl [(1R)-2-(benzylsulfanyl)-1-(hydroxymethyl)ethyl]carbamate. It should be stored at 0°C, and belongs to the following product categories: Amino Acids; Amino Alcohols; Boc-Amino acid series. The molecular formula of the chemical is C15H23NO3S.
The characteristics of Boc-S-Benzyl-L-cysteinol are as followings: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 83.86 Å2; (7)Index of Refraction: 1.547; (8)Molar Refractivity: 83.058 cm3; (9)Molar Volume: 261.996 cm3; (10)Polarizability: 32.927×10-24cm3; (11)Surface Tension: 44.038 dyne/cm; (12)Density: 1.135 g/cm3; (13)Flash Point: 221.667 °C; (14)Enthalpy of Vaporization: 73.824 kJ/mol; (15)Boiling Point: 442.914 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H](CSCc1ccccc1)CO
(2)InChI: InChI=1/C15H23NO3S/c1-15(2,3)19-14(18)16-13(9-17)11-20-10-12-7-5-4-6-8-12/h4-8,13,17H,9-11H2,1-3H3,(H,16,18)/t13-/m1/s1
(3)InChIKey: MEZQRZMTIJTPIY-CYBMUJFWBU
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