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1004-39-3

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Basic Information
CAS No.: 1004-39-3
Name: 4,6-DIAMINO-2-MERCAPTOPYRIMIDINE
Article Data: 17
Molecular Structure:
Molecular Structure of 1004-39-3 (4,6-DIAMINO-2-MERCAPTOPYRIMIDINE)
Formula: C4H6N4S
Molecular Weight: 142.184
Synonyms: 2-Pyrimidinethiol,4,6-diamino- (6CI);2-Mercapto-4,6-diaminopyrimidine;2-Thio-6-aminocytosine;4,6-Diamino-1,2-dihydro-2-thioxopyrimidine;4,6-Diamino-1H-pyrimidine-2-thione;4,6-Diamino-2-mercaptopyrimidine;4,6-Diamino-2-pyrimidinethiol;4,6-Diamino-2-thiopyrimidine;4,6-Diamino-2-thiouracil;4,6-Diaminopyrimidine-2-thione;NSC 1586;NSC 680831;
EINECS: 213-721-2
Density: 1.78 g/cm3
Melting Point: >300 °C(lit.)
Boiling Point: 289.1 °C at 760 mmHg
Flash Point: 128.7 °C
Appearance: Brown-Grey Solid
Hazard Symbols: 36/37/38:;
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 116.62000
LogP: 1.09210
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Chemistry

The Molecular Structure of 4,6-Diamino-2-mercaptopyrimidine (CAS NO.1004-39-3):

Empirical Formula: C4H6N4S
Molecular Weight: 142.1822 
IUPAC Name: 4,6-diamino-1H-pyrimidine-2-thione
Appearance: Brown-Grey Solid
Product Categories: PYRIMIDINE;APIs & Intermediate;Nucleotides and Nucleosides;Bases & Related Reagents;Inhibitors;Nucleotides;Sulfur & Selenium Compounds
Nominal Mass: 142 Da
Average Mass: 142.1822 Da
Monoisotopic Mass: 142.031316 Da 
Index of Refraction: 1.85
Molar Refractivity: 35.68 cm3
Molar Volume: 79.8 cm3
Surface Tension: 77.1 dyne/cm
Density: 1.78 g/cm3
Flash Point: 128.7 °C
Enthalpy of Vaporization: 52.84 kJ/mol
Boiling Point: 289.1 °C at 760 mmHg
Vapour Pressure: 0.00224 mmHg at 25°C 
InChI
InChI=1/C4H6N4S/c5-2-1-3(6)8-4(9)7-2/h1H,(H5,5,6,7,8,9)
Smiles
n1c(N)cc(nc1S)N 
Synonyms: AI3-52092 ; EINECS 213-721-2    

Uses

 4,6-Diamino-2-mercaptopyrimidine (CAS NO.1004-39-3) has been known to exhibit several pharmacological activities such as platelet aggregation inhibition and coronary vasodilation.

Safety Profile

Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
WGK Germany: 3
RTECS: MB7660000

Specification

 4,6-Diamino-2-mercaptopyrimidine (CAS NO.1004-39-3) is also called as 2-Mercapto-4,6-diaminopyrimidine ; 4,6-Diamino-2-thiopyrimidine ; 2(1H)-Pyrimidinethione, 4,6-diamino- ; 4,6-Diaminopyrimidine-2-thiol .