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31295-41-7

Basic Information
CAS No.: 31295-41-7
Name: 2,4-Dimercapto-5,6-diaminopyrimidine
Article Data: 5
Molecular Structure:
Molecular Structure of 31295-41-7 (2,4-Dimercapto-5,6-diaminopyrimidine)
Formula: C4H6 N4 S2
Molecular Weight: 174.25
Synonyms: Uracil,5,6-diamino-2,4-dithio- (6CI,8CI); 4,5-Diamino-2,6-dimercaptopyrimidine; NSC45757
Density: 1.68 g/cm3
Melting Point: >300 ºC (dec.)
Boiling Point: 258.1 °C at 760 mmHg
Flash Point: 109.9 °C
Appearance: GREEN TO BROWN POWDER, CRYSTALS, CRYSTALLINE POWDER AND/OR CHUNKS
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26
PSA: 155.42000
LogP: 1.38080
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Chemistry

IUPAC Name: 5,6-Diamino-1H-pyrimidine-2,4-dithione 
Following is the structure of 2,4(1H,3H)-Pyrimidinedithione,5,6-diamino- (CAS NO.31295-41-7):
               
Empirical Formula: C4H6N4S2
Molecular Weight: 174.2472 g/mol
Index of Refraction: 1.866
Molar Refractivity: 46.74 cm3
Molar Volume: 103.2 cm3
Density: 1.68 g/cm3
Flash Point: 109.9 °C
Melting point: >300 ºC (dec.)
Surface Tension: 132.2 dyne/cm
Enthalpy of Vaporization: 49.57 kJ/mol
Boiling Point of 2,4(1H,3H)-Pyrimidinedithione,5,6-diamino- (CAS NO.31295-41-7): 258.1 °C at 760 mmHg
Vapour Pressure of 2,4(1H,3H)-Pyrimidinedithione,5,6-diamino- (CAS NO.31295-41-7): 0.014 mmHg at 25 °C
Product Categories: APIs & Intermediate; Pyrimidine; Pyrimidine series
Canonical SMILES: C1(=C(NC(=S)NC1=S)N)N
InChI: InChI=1S/C4H6N4S2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)
InChIKey: IQGYCVKWCYGVBK-UHFFFAOYSA-N

Safety Profile

WGK Germany: 3

Specification

 2,4(1H,3H)-Pyrimidinedithione,5,6-diamino- , its cas register number is 31295-41-7. It also can be called 5,6-Diamino-2,4(1H,3H)-pyrimidinedithione ; and 2,4-Dimercapto-5,6-diaminopyrimidine .