-
Name
4-Hydroxy-5-methyl-2-mercaptopyrimidine
- EINECS
- CAS No. 636-26-0
- Article Data11
- CAS DataBase
- Density 1.36
-
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
- 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
- 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
- PSA 80.74000
- LogP 0.74090
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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