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| CAS No.: | 636-26-0 |
|---|---|
| Name: | 4-Hydroxy-5-methyl-2-mercaptopyrimidine |
| Article Data: | 11 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H6 N2 O S |
| Molecular Weight: | 142.181 |
| 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 |
| Density: | 1.36 |
| Melting Point: | 265-267 ºC |
| Boiling Point: | 329.7oC at 760 mmHg |
| Flash Point: | 153.2oC |
| Solubility: |
slight
Stability
Toxicology
|
| Appearance: | white crystalline powder |
| Hazard Symbols: | R22:Harmful if swallowed.; R40:Possible risks of irreversible effects.; |
| Risk Codes: | R22;R40; |
| Safety: | Poison by unspecified route. Slightly toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx. |
| PSA: | 80.74000 |
| LogP: | 0.74090 |
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Chemistry
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:
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 .
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. |
Consensus Reports
Reported in EPA TSCA Inventory.
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
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.