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Basic Information
CAS No.: 57235-35-5
Name: 2-Mercapto-4,6-dimethoxypyrimidine
Article Data: 2
Molecular Structure:
Molecular Structure of 57235-35-5 (2-Mercapto-4,6-dimethoxypyrimidine)
Formula: C6H8 N2 O2 S
Molecular Weight: 172.208
Synonyms: 2-Mercapto-4,6-dimethoxypyrimidine;4,6-Dimethoxy-2-mercaptopyrimidine; 4,6-Dimethoxy-2-pyrimidinethiol
Density: 1.32g/cm3
Melting Point: 56-60 °C(lit.)
Boiling Point: 250.9oC at 760 mmHg
Flash Point: 105.6oC
PSA: 83.04000
LogP: 0.78250
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Chemistry

Molecular Structure of 2-Mercapto-4,6-dimethoxypyrimidine (CAS No.57235-35-5):

Molecular Formula: C6H8N2O2S
Molecular Weight: 172.20
CAS No: 57235-35-5
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 66.15 Å2
Index of Refraction: 1.584
Molar Refractivity: 43.48 cm3
Molar Volume: 129.8 cm3
Surface Tension: 38.1 dyne/cm
Density: 1.32 g/cm3
Flash Point: 105.6 °C
Enthalpy of Vaporization: 48.82 kJ/mol
Boiling Point: 250.9 °C at 760 mmHg
Vapour Pressure: 0.0211 mmHg at 25°C
Systematic Name: 4,6-Dimethoxypyrimidine-2(1H)-thione
InChI: InChI=1/C6H8N2O2S/c1-9-4-3-5(10-2)8-6(11)7-4/h3H,1-2H3,(H,7,8,11)
InChIKey: PCVRHOZHSQQRMC-UHFFFAOYAQ
Std. InChI: InChI=1S/C6H8N2O2S/c1-9-4-3-5(10-2)8-6(11)7-4/h3H,1-2H3,(H,7,8,11)
Std. InChIKey: PCVRHOZHSQQRMC-UHFFFAOYSA-N

Safety Profile

WGK Germany: 3
HazardClass: IRRITANT

Specification

   2-Mercapto-4,6-dimethoxypyrimidine (CAS No.57235-35-5), it also can be called 4,6-Dimethoxy-2-mercaptopyrimidine ; 2-Pyrimidinethiol, 4,6-dimethoxy- ; 4,6-Dimethoxypyrimidine-2-thiol ; 4,6-Dimethoxy-2-Mercapto Pyrimidine4,6-Dimethoxy-2-Mercaptopyrimidine .