| Identification | |
| Name: | Carbamicacid, [1-(hydroxymethyl)-2-[[(4-methylphenyl)methyl]thio]ethyl]-,1,1-dimethylethyl ester, (S)- (9CI) |
| Synonyms: | Boc-Cys(pMeBzl)-ol;Boc-Cysteinol(pMeBzl);(S)-tert-butyl 1-hydroxy-3-(4-methylbenzylthio)propan-2-ylcarbamate; |
| CAS: | 129397-85-9 |
| Molecular Formula: | C16H25NO3S |
| Molecular Weight: | 311.44 |
| InChI: | InChI=1/C16H25NO3S/c1-12-5-7-13(8-6-12)10-21-11-14(9-18)17-15(19)20-16(2,3)4/h5-8,14,18H,9-11H2,1-4H3,(H,17,19)/t14-/m1/s1 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.119 g/cm3 |
| Refractive index: | 1.544 |
| Specification: |
The CAS register number of Carbamicacid, [1-(hydroxymethyl)-2-[[(4-methylphenyl)methyl]thio]ethyl]-,1,1-dimethylethyl ester, (S)- (9CI) is 129397-85-9. It also can be called as (S)-tert-butyl 1-hydroxy-3-(4-methylbenzylthio)propan-2-ylcarbamate and the systematic name about this chemical is tert-butyl N-[(1R)-1-(hydroxymethyl)-2-(p-tolylmethylsulfanyl)ethyl]carbamate. The molecular formula about this chemical is C16H25NO3S and the molecular weight is 311.44. It belongs to the following product categories, such as Amino Acids; Amino Alcohols; Boc-Amino acid series and so on. Physical properties about Carbamicacid, [1-(hydroxymethyl)-2-[[(4-methylphenyl)methyl]thio]ethyl]-,1,1-dimethylethyl ester, (S)- (9CI) are: (1)ACD/LogP: 2.80; (2)ACD/LogD (pH 5.5): 2.795; (3)ACD/LogD (pH 7.4): 2.795; (4)ACD/BCF (pH 5.5): 78.331; (5)ACD/BCF (pH 7.4): 78.325; (6)ACD/KOC (pH 5.5): 789.384; (7)ACD/KOC (pH 7.4): 789.329; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 83.86Å2; (12)Index of Refraction: 1.544; (13)Molar Refractivity: 87.883 cm3; (14)Molar Volume: 278.271 cm3; (15)Polarizability: 34.84x10-24cm3; (16)Surface Tension: 42.995 dyne/cm; (17)Enthalpy of Vaporization: 75.557 kJ/mol; (18)Boiling Point: 457.002 °C at 760 mmHg. You can still convert the following datas into molecular structure: |
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