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4-Hydroxy-5-methyl-2-mercaptopyrimidine

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Name

4-Hydroxy-5-methyl-2-mercaptopyrimidine

EINECS N/A
CAS No. 636-26-0 Density 1.36
PSA 80.74000 LogP 0.74090
Solubility slight

Stability

    Stable but may be heat or light sensitive. Incompatible with strong oxidizing agents.

Toxicology

    Skin, eye and respiratory irritant. Possible sensitizer (on the basis of QSPR studies).

Melting Point 265-267 ºC
Formula C5H6 N2 O S Boiling Point 329.7oC at 760 mmHg
Molecular Weight 142.181 Flash Point 153.2oC
Transport Information N/A Appearance white crystalline powder
Safety Poison by unspecified route. Slightly toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx. Risk Codes R22;R40;
Molecular Structure Molecular Structure of 636-26-0 (4-Hydroxy-5-methyl-2-mercaptopyrimidine) Hazard Symbols R22:Harmful if swallowed.; R40:Possible risks of irreversible effects.;
Synonyms

Thymine,2-thio- (6CI,8CI); 2-Thiothymine; 4-Hydroxy-5-methyl-2-mercaptopyrimidine;4-Hydroxy-5-methylpyrimidine-2-thione; 5-Methyl-2-thiouracil;5-Methyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one; NSC 314272; NSC 9377;Thiothymine

Article Data 11

4-Hydroxy-5-methyl-2-mercaptopyrimidine Chemical Properties

Chemistry informtion about 2-Thiothymine (CAS NO.636-26-0) is:
IUPAC Name: 5-Methyl-2-Sulfanylidene-1h-Pyrimidin-4-One
Synonyms: 2,3-Dihydro-5-Methyl-2-Thioxo-4(1h)-Pyrimidinon ; 2,3-Dihydro-5-Methyl-2-Thioxo-4(1h)-Pyrimidinone ; 2-Thio-Thymin ; 2-Thiothymine ; 5-Methyl-2-Thioxo-2,3-Dihydro-4(1h)-Pyrimidinone ; Thiothymine ; Thymine, 2-Thio- ; Uracil, 5-Methyl-2-Thio-
Product Categories: PyrimidinE ; Pyridines, Pyrimidines, Purines and Pteredines
MF: C5H6N2OS
MW: 142.18 
Density: 1.36 g/cm3
Melting Point: 283-286°C
Flash Point: 160.8 °C
Boiling Point: 342.3 °C at 760 mmHg
Vapour Pressure: 3.83E-05 mmHg at 25°C
 Enthalpy of Vaporization: 60.93 kJ/mol
BRN: 120488
Stability: Stable but may be heat or light sensitive. Incompatible with strong oxidizing agents.
Following is the molecular structure of 2-Thiothymine (CAS NO.636-26-0) is:

4-Hydroxy-5-methyl-2-mercaptopyrimidine Production

Raw materials are Etanol-->Hydrochloric acid-->Methanol-->Diethyl ether-->Acetic acid glacial-->Sodium-->Toluene-->Sodium sulfate-->Acetone-->Sodium bicarbonate-->Triethyl orthoformate-->Thiocarbamide-->ZINC-->Iodine-->Ethyl 2-bromopropionate .

4-Hydroxy-5-methyl-2-mercaptopyrimidine Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo unreported 100mg/kg (100mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 97, Pg. 478, 1949.
rat LDLo intraperitoneal 1gm/kg (1000mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 97, Pg. 478, 1949.

4-Hydroxy-5-methyl-2-mercaptopyrimidine Consensus Reports

Reported in EPA TSCA Inventory.

4-Hydroxy-5-methyl-2-mercaptopyrimidine Safety Profile

Poison by unspecified route. Slightly toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx
Risk Statements:
R22:Harmful if swallowed. 
R40:Limited evidence of a carcinogenic effect.
Safety Statements:
S22:Do not breathe dust. 
S36/37:Wear suitable protective clothing and gloves.
RTECS: XP2108500

4-Hydroxy-5-methyl-2-mercaptopyrimidine Specification

 2-Thiothymine (CAS NO.636-26-0) is a white crystalline solid.It is insoluble in water.It is heat sensitive and may be light sensitive and it is probably combustible.

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