4-Amino-6-hydroxy-2-mercaptopyrimidine monohydrate

IUPAC Name: 6-Amino-2-sulfanylidene-1H-pyrimidin-4-one hydrate 
Empirical Formula: C₄H₇N₃O₂S
Molecular Weight: 161.1823g/mol
EINECS: 251-501-8 
Structure of 4-Amino-6-hydroxy-2-mercaptopyrimidine monohydrate (CAS NO.65802-56-4):

Flash Point: 290.7 °C 
Melting Point: >300 °C(lit.)
Enthalpy of Vaporization: 88.26 kJ/mol
Boiling Point: 557 °C at 760 mmHg
Vapour Pressure: 3.03E-13 mmHg at 25 °C 
H-Bond Donor: 4
H-Bond Acceptor: 3 
Tautomer Count: 17
Exact Mass: 161.025897
MonoIsotopic Mass: 161.025897
Topological Polar Surface Area: 68.2
Heavy Atom Count: 10
Canonical SMILES: C1=C(NC(=S)NC1=O)N.O
InChI: InChI=1S/C4H5N3OS.H2O/c5-2-1-3(8)7-4(9)6-2;/h1H,(H4,5,6,7,8,9);1H2
InChIKey: BWYGMIYEADAIGW-UHFFFAOYSA-N
Product Categories: THIOL; Amines; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals; Sulfur & Selenium Compounds

 4-Amino-6-hydroxy-2-mercaptopyrimidine monohydrate (CAS NO.65802-56-4) is derivatives of 6-Amino-2-thiouracil which is used as novel, potent, and selective A3 adenosine receptor antagonists.

Hazard Codes: Xn
Risk Statements: 22-36
R22:Harmful if swallowed. 
R36:Irritating to eyes.
Safety Statements: 26-24/25 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: UW0495000

 4-Amino-6-hydroxy-2-mercaptopyrimidine monohydrate (CAS NO.65802-56-4) is also can be called 4-pyrimidinol, 6-amino-2-mercapto-, hydrate (1:1) ; 6-Amino-2-sulfanylpyrimidin-4-ol hydrate (1:1) ; 2-Pyrimidinethiol, 4-amino-6-hydroxy-, monohydrate ; 6-Amino-2,3-dihydro-2-thioxopyrimidin-4(1H)-one monohydrate ; 6-Amino-2-mercapto-4-pyrimidinol monohydrate ; 6-Amino-2-thiouracil Hydrate ; 6-Amino-2-thiouracil monohydrate ; 6-Amino-2-thiouracil monohydrate, 4-Amino-6-hydroxypyrimidine-2-thiol monohydrate . 4-Amino-6-hydroxy-2-mercaptopyrimidine monohydrate (CAS NO.65802-56-4) is off-white solid. It is harmful if swallowed and it's irritating to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.