Product Name

  • Name

    4-(Dimethoxymethyl)-2-(methylthio)-pyrimidine

  • EINECS
  • CAS No. 180869-36-7
  • Article Data26
  • CAS DataBase
  • Density 1.189 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H12N2O2S
  • Boiling Point 273.033 °C at 760 mmHg
  • Molecular Weight 200.261
  • Flash Point 118.927 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 180869-36-7 (4-(Dimethoxymethyl)-2-(methylthio)-pyrimidine)
  • Hazard Symbols
  • Synonyms 2-(Methylthio)pyrimidine-4-carboxaldehydedimethyl acetal;4-(Dimethoxymethyl)-2-(methylsulfanyl)pyrimidine;4-Dimethoxymethyl-2-methylthiopyrimidine;4-[Bis(methoxy)methyl]-2-(methylthio)pyrimidine;
  • PSA 69.54000
  • LogP 1.48990

Pyrimidine, 4-(dimethoxymethyl)-2-(methylthio)- Specification

This chemical is called Pyrimidine, 4-(dimethoxymethyl)-2-(methylthio)-, and its IUPAC name is 4-(dimethoxymethyl)-2-methylsulfanylpyrimidine. With the molecular formula of C8H12N2O2S, its product category is Pharmacetical. The CAS registry number of this chemical is 180869-36-7.

Other characteristics of the Pyrimidine, 4-(dimethoxymethyl)-2-(methylthio)- can be summarised as followings: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 86; (8)ACD/KOC (pH 7.4): 86; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 69.54 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 52.334 cm3; (15)Molar Volume: 168.446 cm3; (16)Polarizability: 20.747×10-24cm3; (17)Surface Tension: 48.366 dyne/cm; (18)Density: 1.189 g/cm3; (19)Flash Point: 118.927 °C; (20)Enthalpy of Vaporization: 49.077 kJ/mol; (21)Boiling Point: 273.033 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: CSc1nc(ccn1)C(OC)OC
2.InChI: InChI=1/C8H12N2O2S/c1-11-7(12-2)6-4-5-9-8(10-6)13-3/h4-5,7H,1-3H3 C
3.InChIKey: PTYFBMBIEDVSIA-UHFFFAOYAC

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