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Name	4-Amino-6-hydroxy-2-mercaptopyrimidine monohydrate	EINECS	251-501-8
CAS No.	65802-56-4	Density	N/A
PSA	115.99000	LogP	0.53160
Solubility	Soluble in water and DMSO.	Melting Point	>300 °C(lit.)
Formula	C₄H₇N₃O₂S	Boiling Point	557 °C at 760 mmHg
Molecular Weight	161.18	Flash Point	290.7 °C
Transport Information	N/A	Appearance	off-white solid
Safety	26-24/25	Risk Codes	22-36
Molecular Structure		Hazard Symbols	Xn
Synonyms	4(1H)-Pyrimidinone,6-amino-2,3-dihydro-2-thioxo-, monohydrate (9CI);4-Amino-2-thioxo-6-pyrimidinonemonohydrate;

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

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 Uses

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.

4-Amino-6-hydroxy-2-mercaptopyrimidine monohydrate Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	178mg/kg (178mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00692,

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

Hazard Codes: Harmful 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 Specification

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.

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