Product Name

  • Name

    2(1H)-Pyrimidinethione, 5-methyl- (9CI)

  • EINECS
  • CAS No. 42783-64-2
  • Article Data6
  • CAS DataBase
  • Density 1.24 g/cm3
  • Solubility
  • Melting Point
  • Formula C5H6N2S
  • Boiling Point 201.7 °C at 760 mmHg
  • Molecular Weight 126.18
  • Flash Point 75.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 42783-64-2 (2(1H)-Pyrimidinethione, 5-methyl- (9CI))
  • Hazard Symbols
  • Synonyms 2-Pyrimidinethiol,5-methyl- (6CI);2-Mercapto-5-methylpyrimidine;5-Methyl-2-pyrimidinethiol;5-Methyl-2-mercaptopyrimidine;
  • PSA 60.77000
  • LogP 1.44760

2(1H)-Pyrimidinethione,5-methyl- Specification

This chemical is called 2(1H)-Pyrimidinethione,5-methyl-, and its systematic name is 5-methylpyrimidine-2(1H)-thione. With the molecular formula of C5H6N2S, its molecular weight is 126.18. The CAS registry number of this chemical is 42783-64-2. Additionally, its product category is Pyrimidine.

Other characteristics of the 2(1H)-Pyrimidinethione,5-methyl- can be summarised as followings: (1)ACD/LogP: -0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.52; (4)ACD/LogD (pH 7.4): -0.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.41; (8)ACD/KOC (pH 7.4): 11.93; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 47.69 Å2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 36.28 cm3; (15)Molar Volume: 101.3 cm3; (16)Polarizability: 14.38×10-24cm3; (17)Surface Tension: 39 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 75.8 °C; (20)Enthalpy of Vaporization: 43.79 kJ/mol; (21)Boiling Point: 201.7 °C at 760 mmHg; (22)Vapour Pressure: 0.304 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: S=C1/N=C\C(=C/N1)C
2.InChI: InChI=1/C5H6N2S/c1-4-2-6-5(8)7-3-4/h2-3H,1H3,(H,6,7,8)
3.InChIKey: UDXSIDQGDWMVDD-UHFFFAOYAK

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