Description

Thiouracil (CAS 141-90-2) is a heterocyclic organic compound with the molecular formula C₄H₄N₂OS. This white to off-white crystalline powder is a derivative of uracil, where the oxygen atom at the 2-position is replaced by sulfur. Thiouracil is widely utilized in biochemical and pharmaceutical research due to its role as a thyroid inhibitor, effectively blocking the synthesis of thyroid hormones by interfering with iodine incorporation into tyrosine residues.

With a purity of ≥99%, our high-quality Thiouracil is ideal for laboratory applications, including enzyme inhibition studies, metabolic research, and as a reference standard in analytical chemistry. It is soluble in hot water, dilute alkali solutions, and ethanol, making it versatile for various experimental conditions. Proper storage at room temperature in a tightly sealed container ensures stability and longevity.

Synonyms include 2-thiouracil, Deracil, and 2-thioxo-2,3-dihydropyrimidin-4(1H)-one. For research use only. Not intended for diagnostic or therapeutic purposes.

Properties

• CAS Number: 141-90-2
• Complexity: 163
• IUPAC Name: 2-thioxo-1H-pyrimidin-4-one
• InChI: InChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
• InChI Key: ZEMGGZBWXRYJHK-UHFFFAOYSA-N
• Exact Mass: 128.00443393
• Molecular Formula: C4H4N2OS
• Molecular Weight: 128.15
• SMILES: C1=CNC(=S)NC1=O
• Topological: 73.2
• Monoisotopic Mass: 128.00443393
• Color/Form: MINUTE CRYSTALS, PRISMS, OR WHITE OR PALE CREAM-COLORED POWDER
• Odor: ODORLESS
• Taste: BITTER TASTE
• Melting Point: NO DEFINITE MP, ABOUT 340 °C WITH DECOMP
• Solubility: VERY SLIGHTLY SOL IN WATER ; PRACTICALLY INSOL IN ETHER, ACIDS; READILY SOL IN ALKALINE SOLN
• Synonyms: 2-thiouracil, Thiouracil, Deracil, 2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 4(1H)-Pyrimidinone, 2,3-dihydro-2-thioxo-, 6-Thiouracil, 2-sulfanylidene-1H-pyrimidin-4-one, Tiouracyl [Polish], Tiouracyl, 2-Thiouracil (VAN), 2-Thio-6-oxypyrimidine, CCRIS 587, HSDB 2954, 2-Mercaptopyrimid-4-one, CHEBI:348530, 2-Mercapto-pyrimidin-4-ol, EINECS 205-508-8, DTXSID4021347, AI3-25474, 2-Thioxo-2,3-dihydro-1H-pyrimidin-4-one, NSC-19473, THIOURACIL [HSDB], THIOURACIL [IARC], 2-THIOURACIL [MI], THIOURACIL [WHO-DD], DTXCID701347, NSC19473, THIOURACIL (IARC), Uracil, 2-thio-(VAN), Uracil, 2-thio-(VAN) (8CI), inchi=1/c4h4n2os/c7-3-1-2-5-4(8)6-3/h1-2h,(h2,5,6,7,8, zemggzbwxryjhk-uhfffaoysa-n, 141-90-2, 2-Mercaptopyrimidin-4-ol, 4-Hydroxy-2-mercaptopyrimidine, Antagothyroid, 80275-68-9, Antagothyroil, Nobilen, 2-Mercapto-4-hydroxypyrimidine, 2-Mercapto-4-pyrimidone, 2-Mercapto-4-pyrimidinol, 4-Hydroxy-2-pyrimidinethiol, Uracil, 2-thio-, 4-Pyrimidinol, 2-mercapto-, 2-sulfanylpyrimidin-4-ol, 6-Hydroxy-2-mercaptopyrimidine, 2-Thio-1,3-pyrimidin-4-one, MFCD00006039, 2,3-Dihydro-2-thioxo-4(1H)-pyrimidinone, 2-TU, 125220-28-2, 126160-72-3, 156-82-1, 2-Mercapto-4(1H)-pyrimidinone, 2-Thio-2,4-(1H,3H)-pyrimidinedione, 4-Hydroxy-2(1H)-pyrimidinethione, 4-hydroxypyrimidine-2(1H)-thione, 4(3H)-Pyrimidinone, 2-mercapto- (9CI), NSC 19473, 124700-71-6, 4(1H)-Pyrimidinone, 2-mercapto- (9CI), 2(1H)-Pyrimidinethione, 4-hydroxy- (9CI), 2(1H)-Pyrimidinethione, 6-hydroxy- (9CI), 4-Pyrimidinol, 2-mercapto- (9CI), 124700-72-7, TU, 2-thioxo-2,3-dihydro-4(1h)-pyrimidinone, 59X161SCYL, NCGC00095088-01, 2-Thio-4-oxypyrimidine, 4-Hydroxypyrimidine-2-thiol, CAS-141-90-2, 2-Thio-4-oxo-1,3-pyrimidine, NCI-C01490, Uracil, 2-thio- (VAN), UNII-59X161SCYL, 2-thioxo-1H-pyrimidin-4-one, 2-sulfanylpyrimidin-4(3H)-one, 4(3H)-Pyrimidinone, 2-mercapto-, 2-thio-4-pyrimidone, Spectrum_001652, SpecPlus_000746, 4-hydroxypyrimidinethione, 2,3-dihydro-2-thioxopyrimidin-4(1h)-one, Spectrum3_000979, Spectrum4_001104, Spectrum5_001378, WLN: T6MYMVJ BUS, 2-mercaptopyrimidine-4-one, 2-Thiouracil, >=99%, SCHEMBL9172, 2-Sulfanyl-4-pyrimidinol #, 6-hydroxypyrimidine-2-thione, BSPBio_002617, KBioGR_001548, KBioSS_002132, DivK1c_000104, DivK1c_006842, SCHEMBL191107, SCHEMBL536791, SCHEMBL536824, SCHEMBL545998, SCHEMBL546068, SPECTRUM1503973, 2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one, CHEMBL345768, SCHEMBL2856254, SCHEMBL3575471, SCHEMBL6055206, SCHEMBL6987177, SCHEMBL11359888, SCHEMBL11423232, HMS500F06, KBio1_000104, KBio1_001786, KBio2_002132, KBio2_004700, KBio2_007268, KBio3_001837, MSK7112, NINDS_000104, HMS1922O08, HMS3651F22, HMS3885A09, HMS5081M14, Pharmakon1600-01503973, pyrimidine, 4-hydroxy-2-mercapto-, HY-B0503, Tox21_111418, Tox21_202418, Tox21_302955, AB7033, BDBM50608607, CCG-39926, NSC758660, s3100, SBB007592, STL011919, STL134904, STL168055, STL185506, AKOS000119226, AKOS002303247, AKOS005366847, AKOS022061520, Tox21_111418_1, CCG-266107, FT02604, GS-6727, NSC-758660, SB57767, 2-sulfanyl-3,4-dihydropyrimidin-4-one, IDI1_000104, SMP1_000293, NCGC00095088-02, NCGC00095088-03, NCGC00095088-04, NCGC00095088-05, NCGC00095088-07, NCGC00249223-01, NCGC00256423-01, NCGC00259967-01, ST075010, SY014748, 4(1H)-PYRIMIDINONE, 2-MERCAPTO-, SBI-0051878.P002, DB-004877, DB-028206, DB-268876, DB-268885, DB-272086, DB-272204, 2(1H)-PYRIMIDINETHIONE, 4-HYDROXY-, 2(1H)-PYRIMIDINETHIONE, 6-HYDROXY-, CS-0369245, NS00008703, SW220234-1, T0224, 2-Thiouracil, Vetec(TM) reagent grade, 99%, EN300-16770, C19304, pyrimidin-4(1H)-one, 2,3-dihydro-2-thioxo-, AB00052397_02, AB00171996_02, 2-Thiouracil, VETRANAL(TM), analytical standard, AG-670/31547014, SR-01000872748, SR-01000872748-1, BRD-K58819470-001-04-2, BRD-K58819470-001-05-9, Q20892027, Z56771015, F0001-0490, TUL

Thiouracil is primarily used in research settings to study thyroid hormone biosynthesis inhibition, serving as a model compound for antithyroid agents. It is also employed in metabolic studies to investigate the effects of thyroid dysfunction. Additionally, Thiouracil finds applications in organic synthesis as a building block for heterocyclic compounds and in analytical chemistry as a reference standard.

Safety and Hazards

GHS Hazard Statements

• H303: May be harmful if swallowed [Warning Acute toxicity, oral]
• H351: Suspected of causing cancer [Warning Carcinogenicity]
• H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
• H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]
• H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P203, P260, P264, P270, P273, P280, P301+P317, P318, P319, P391, P405, and P501

Hazard Classes and Categories

• Acute toxicity – Category 5
• Carcinogenicity – Category 2
• Specific target organ toxicity – Repeated exposure – Category 1
• Hazardous to the aquatic environment – Category 2
• Hazardous to the aquatic environment – Category 2

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.