N-Benzyl-2-(methylsulfanyl)pyrimidin-4-amine


Catalog No:   FT-0687951

CAS No:   91719-61-8

  • Chemical Name:  N-Benzyl-2-(methylsulfanyl)pyrimidin-4-amine
  • Molecular Formula:  C12H13N3S
  • Molecular Weight:  231.32
  • InChI Key:  XKXIAFTYXCCCQG-UHFFFAOYSA-N
  • InChI:  InChI=1S/C12H13N3S/c1-16-12-13-8-7-11(15-12)14-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,13,14,15)

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
Product_Name: N-benzyl-2-(methylthio)pyrimidin-4-amine
Flash_Point: 198.3ºC
Melting_Point: N/A
FW: 231.31700
Density: 1.21 g/cm3
CAS: 91719-61-8
Bolling_Point: 404.3ºC at 760 mmHg
MF: C12H13N3S
Density: 1.21 g/cm3
Computational_Chemistry: ['1. XlogP :29 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :3 ', '6. TPSA 631 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :195 ', '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']
Molecular_Structure: ['1 . Molar refractive index 6797 ', '2 . Molar volume 1903 ', '3 . Parachor (902K)5275 ', '4 . Surface tension 589 ', '5 . Polarizability 2694']
LogP: 2.88360
Flash_Point: 198.3ºC
Refractive_Index: 1.632
FW: 231.31700
PSA: 63.11000
MF: C12H13N3S
Bolling_Point: 404.3ºC at 760 mmHg
Exact_Mass: 231.08300
HS_Code: 2933599090

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