![(2S)-4-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid (CAS: 7685-67-8) - Chemical Structure and Molecular Formula](/static/img/prod_pic/FT-0771433.png "(2S)-4-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid chemical structure")
(2S)-4-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid
Catalog No: FT-0771433
CAS No: 7685-67-8
- Chemical Name: (2S)-4-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid
- Molecular Formula: C12H16N2O4S
- Molecular Weight: 284.33
- InChI Key: OITRGNOZDXVYFU-VIFPVBQESA-N
- InChI: InChI=1S/C12H16N2O4S/c1-8(2)7-9(12(15)16)13-19-11-6-4-3-5-10(11)14(17)18/h3-6,8-9,13H,7H2,1-2H3,(H,15,16)/t9-/m0/s1
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Bolling_Point: | 450.255ºC at 760 mmHg |
|---|---|
| CAS: | 7685-67-8 |
| MF: | C12H16N2O4S |
| Density: | 1.305g/cm3 |
| Melting_Point: | N/A |
| Product_Name: | N-(2-Nitrophenylthio)-L-leucine |
| Flash_Point: | 226.107ºC |
| FW: | 284.33100 |
| Molecular_Structure: | ['1 . Molar refractive index 7383 ', '2 . Molar volume （m3/mol）2178 ', '3 . Parachor （902K）5998 ', '4 . Surface tension 575 ', '5 . Polarizability （10 -24cm 3）2927'] |
|---|---|
| MF: | C12H16N2O4S |
| LogP: | 3.60490 |
| Computational_Chemistry: | ['1. XlogP :07 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 120 ', '7. Heavy Atom Count :19 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :319 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Density: | 1.305g/cm3 |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density（g/mL 25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC，Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index（n20/D）-98 °(C=2, DMF) ', '8 . Flash point（ºC，）Unknow ', '9 . Specific rotation（º）-Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient （25℃）Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility (mg/mL)Unknow'] |
| Exact_Mass: | 284.08300 |
| Bolling_Point: | 450.255ºC at 760 mmHg |
| Flash_Point: | 226.107ºC |
| FW: | 284.33100 |
| PSA: | 120.45000 |
| HS_Code: | 2930909090 |
|---|
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