3-(Methylthio)propyl isothiocyanate
Catalog No: FT-0616194
CAS No: 505-79-3
- Molecular Formula: 147.3
- Formula Weight: C5H9NS2
- Inchl Key: LDKSCZJUIURGMW-UHFFFAOYSA-N
- Inchl: InChI=1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Product_Name: | 3-(Methylthio)propyl Isothiocyanate |
|---|---|
| Bolling_Point: | 254 °C(lit.) |
| MF: | C5H9NS2 |
| Symbol: | GHS07 |
| Melting_Point: | N/A |
| CAS: | 505-79-3 |
| Density: | 1.102 g/mL at 25 °C(lit.) |
| FW: | 147.26200 |
| Flash_Point: | >230 °F |
| MF: | C5H9NS2 |
|---|---|
| Bolling_Point: | 254 °C(lit.) |
| Exact_Mass: | 147.01800 |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density（g/ cm3,25/4℃）1102 ', '3 . Relative vapor density（g/cm3,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）254 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index1564 ', '8 . Flash point（ºF）230 ', '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 Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow'] |
| PSA: | 69.75000 |
| Flash_Point: | >230 °F |
| Computational_Chemistry: | ['1. XlogP :26 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 698 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :864 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '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: | 1.102 g/mL at 25 °C(lit.) |
| Molecular_Structure: | ['1 . Molar refractive index 4359 ', '2 . Molar volume 1397 ', '3 . Parachor （902K）3379 ', '4 . Surface tension 342 ', '5 . Polarizability 1728'] |
| FW: | 147.26200 |
| LogP: | 1.84230 |
| Refractive_Index: | n20/D 1.564(lit.) |
| Risk_Statements(EU): | 23/24/25 |
|---|---|
| Hazard_Codes: | Xi:Irritant; |
| HS_Code: | 2930909090 |
| Packing_Group: | III |
| WGK_Germany: | 3 |
| Warning_Statement: | P305 + P351 + P338 |
| Safety_Statements: | H315-H319 |
| Symbol: | GHS07 |
| RIDADR: | 2810 |
| Hazard_Class: | 6.1 |
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