Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

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

Related Products

Hot Products

Name

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

EINECS 205-525-8
CAS No. 91719-61-8 Density 1.21 g/cm3
PSA 63.11000 LogP 2.88360
Solubility N/A Melting Point N/A
Formula C12H13N3S Boiling Point 404.3 °C at 760 mmHg
Molecular Weight 231.321 Flash Point 198.3 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 91719-61-8 (BENZYL-(2-METHYLSULFANYL-PYRIMIDIN-4-YL)-AMINE) Hazard Symbols N/A
Synonyms

Pyrimidine,4-(benzylamino)-2-(methylthio)- (7CI);

Article Data 2

N-Benzyl-2-(methylthio)pyrimidin-4-amine Specification

The N-Benzyl-2-(methylthio)pyrimidin-4-amine is an organic compound with the formula C12H13N3S. The systematic name of this chemical is 4-pyrimidinamine, 2-(methylthio)-N-(phenylmethyl)-. With the CAS registry number 91719-61-8, it is also named as N-Benzyl-2-(methylsulfanyl)pyrimidin-4-amine.

Physical properties about N-Benzyl-2-(methylthio)pyrimidin-4-amine are: (1)ACD/LogP: 1.92; (2)ACD/LogD (pH 5.5): 1.82; (3)ACD/LogD (pH 7.4): 1.92; (4)ACD/BCF (pH 5.5): 13.48; (5)ACD/BCF (pH 7.4): 16.92; (6)ACD/KOC (pH 5.5): 209.86; (7)ACD/KOC (pH 7.4): 263.31; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 63.11 Å2; (12)Index of Refraction: 1.632; (13)Molar Refractivity: 67.97 cm3; (14)Molar Volume: 190.3 cm3; (15)Polarizability: 26.94×10-24cm3; (16)Surface Tension: 58.9 dyne/cm; (17)Density: 1.21 g/cm3; (18)Flash Point: 198.3 °C; (19)Enthalpy of Vaporization: 65.57 kJ/mol; (20)Boiling Point: 404.3 °C at 760 mmHg; (21)Vapour Pressure: 9.56E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CSc1nccc(n1)NCc2ccccc2
(2)InChI: InChI=1/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)
(3)InChIKey: XKXIAFTYXCCCQG-UHFFFAOYAK
(4)Std. 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)
(5)Std. InChIKey: XKXIAFTYXCCCQG-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 91719-61-8