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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