2-Chloro-3-isothiocyanatopropene (CAS: 14214-31-4) - Chemical Structure and Molecular Formula
2-Chloro-3-isothiocyanatopropene (CAS: 14214-31-4) - Chemical Structure Thumbnail

2-Chloro-3-isothiocyanatopropene

Catalog No:   FT-0685671

CAS No:   14214-31-4

  • Chemical Name:  2-Chloro-3-isothiocyanatopropene
  • Molecular Formula:  C4H4ClNS
  • Molecular Weight:  133.60
  • InChI Key:  DGBFPSVUFUDQNA-UHFFFAOYSA-N
  • InChI:  InChI=1S/C4H4ClNS/c1-4(5)2-6-3-7/h1-2H2
Product pricing and availability information
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
Melting_Point: N/A
CAS: 14214-31-4
MF: C4H4ClNS
Flash_Point: 63.9ºC
Product_Name: 2-chloro-3-isothiocyanatoprop-1-ene
Density: 1.12g/cm3
FW: 133.59900
Bolling_Point: 182ºC at 760 mmHg
Refractive_Index: 1.516
Vapor_Pressure: 1.13mmHg at 25°C
MF: C4H4ClNS
Flash_Point: 63.9ºC
LogP: 1.84170
FW: 133.59900
Density: 1.12g/cm3
PSA: 44.45000
Bolling_Point: 182ºC at 760 mmHg
Computational_Chemistry: ['1. XlogP :28 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA :444 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :115 ', '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']
Exact_Mass: 132.97500
HS_Code: 2930909090

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