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Basic information

  • Name:

  • 4(1H)-Pyrimidinone,2,3-dihydro-5-methyl-2-thioxo-

  • Superlist Name:
  • 4-Hydroxy-5-methyl-2-mercaptopyrimidine
  • CAS No.:

  • 636-26-0

  • Formula:
  • C5H6 N2 O S
  • 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

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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.

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