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
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