2-Thiouracil

Modify Date: 2026-06-30 13:13:03

2-Thiouracil Structure
2-Thiouracil structure
 Common Name 2-Thiouracil
CAS Number 141-90-2 Molecular Weight 128.152
Density 1.5±0.1 g/cm3 Boiling Point 337.2ºC at 760mmHg
Molecular Formula C4H4N2OS Melting Point >300 °C(lit.)
MSDS Chinese USA Flash Point 157.7ºC
Symbol GHS08
GHS08		 Signal Word Warning

 Use of 2-Thiouracil


2-Thiouracil is a thiolated uracil derivative that is a known antihyperthyroid agent. Target: Others2-Thiouracil is an established antithyroid drug and an extensively investigated agent for the early detection and targeting of metastatic melanotic melanoma. In addition, 2-Thiouracil is also a selective inhibitor of neuronal nitric oxide synthase antagonising tetrahydrobiopterin-dependent enzyme activation and dimerization. Thiouracil refers both to a specific molecule consisting of a sulfated uracil, and a family of molecules based upon that structure. Thiouracil inhibits thyroid activity by blocking the enzyme thyroid peroxidase [1-3].

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name thiouracil
Synonym More Synonyms

 2-Thiouracil Biological Activity

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description 2-Thiouracil is a thiolated uracil derivative that is a known antihyperthyroid agent. Target: Others2-Thiouracil is an established antithyroid drug and an extensively investigated agent for the early detection and targeting of metastatic melanotic melanoma. In addition, 2-Thiouracil is also a selective inhibitor of neuronal nitric oxide synthase antagonising tetrahydrobiopterin-dependent enzyme activation and dimerization. Thiouracil refers both to a specific molecule consisting of a sulfated uracil, and a family of molecules based upon that structure. Thiouracil inhibits thyroid activity by blocking the enzyme thyroid peroxidase [1-3].
Related Catalog
References

[1]. Palumbo, A., M. d'Ischia, and F.A. Cioffi, 2-thiouracil is a selective inhibitor of neuronal nitric oxide synthase antagonising tetrahydrobiopterin-dependent enzyme activation and dimerisation. FEBS Lett, 2000. 485(2-3): p. 109-12.

[2]. Napolitano, A., et al., Mechanism of selective incorporation of the melanoma seeker 2-thiouracil into growing melanin. J Med Chem, 1996. 39(26): p. 5192-201.

[3]. Nagasaka, A. and H. Hidaka, Effect of antithyroid agents 6-propyl-2-thiouracil and 1-mehtyl-2-mercaptoimidazole on human thyroid iodine peroxidase. J Clin Endocrinol Metab, 1976. 43(1): p. 152-8.

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.5±0.1 g/cm3
Boiling Point 337.2ºC at 760mmHg
Melting Point >300 °C(lit.)
Molecular Formula C4H4N2OS
Molecular Weight 128.152
Flash Point 157.7ºC
Exact Mass 128.004440
PSA 80.74000
LogP -0.28
Vapour Pressure 5.45E-05mmHg at 25°C
Index of Refraction 1.678
InChIKey ZEMGGZBWXRYJHK-UHFFFAOYSA-N
SMILES O=c1cc[nH]c(=S)[nH]1
Storage condition 2-8°C
Water Solubility 0.5 g/L

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YR1575000
CHEMICAL NAME :
Uracil, 2-thio-
CAS REGISTRY NUMBER :
141-90-2
LAST UPDATED :
199701
DATA ITEMS CITED :
17
MOLECULAR FORMULA :
C4-H4-N2-O-S
MOLECULAR WEIGHT :
128.16
WISWESSER LINE NOTATION :
T6MYMVJ BUS

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2100 mg/kg/4W-C
TOXIC EFFECTS :
Endocrine - changes in thyroid weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10 gm/kg/14W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Endocrine - thyroid weight (goiter) Tumorigenic - increased incidence of tumors in susceptible strains
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
184 gm/kg/73W-C
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Liver - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
484 mg/kg
SEX/DURATION :
female 1-26 week(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - endocrine system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
924 mg/kg
SEX/DURATION :
female 26-41 week(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1600 mg/kg
SEX/DURATION :
female 1-16 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
22750 mg/kg
SEX/DURATION :
female 91 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - endocrine system Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

MUTATION DATA

TYPE OF TEST :
Phage inhibition capacity
TEST SYSTEM :
Bacteria - Escherichia coli
DOSE/DURATION :
100 mmol/L
REFERENCE :
MDMIAZ Medycyna Doswiadczalna i Mikrobiologia. For English translation, see EXMMAV. (Ars Polona, POB 1001, 00-068 Warsaw 1, Poland) V.1- 1949- Volume(issue)/page/year: 31,11,1979 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 7,85,1974 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 7,85,1974 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 TOXICOLOGY REVIEW ADVPA3 Advances in Pharmacology. (New York, NY) V.1-6, 1962-68. For publisher information, see AVPCAQ. Volume(issue)/page/year: 4,263,1966 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - E0277 No. of Facilities: 6 (estimated) No. of Industries: 2 No. of Occupations: 2 No. of Employees: 1776 (estimated) No. of Female Employees: 634 (estimated)

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS08
GHS08
Signal Word Warning
Hazard Statements H351
Precautionary Statements P281
Personal Protective Equipment Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes Xn:Harmful
Risk Phrases R40
Safety Phrases S36/37
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS YR1575000
HS Code 29335995

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2933599090
Summary 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Articles34

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

Identifying chelators for metalloprotein inhibitors using a fragment-based approach.

J. Med. Chem. 54 , 591-602, (2011)

Fragment-based lead design (FBLD) has been used to identify new metal-binding groups for metalloenzyme inhibitors. When screened at 1 mM, a chelator fragment library (CFL-1.1) of 96 compounds produced...

Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.

J. Med. Chem. 51 , 6740-51, (2008)

The work provides a new model for the prediction of the MAO-A and -B inhibitor activity by the use of combined complex networks and QSAR methodologies. On the basis of the obtained model, we prepared ...

Development of a phospholipidosis database and predictive quantitative structure-activity relationship (QSAR) models.

Toxicol. Mech. Methods 18 , 217-27, (2008)

ABSTRACT Drug-induced phospholipidosis (PL) is a condition characterized by the accumulation of phospholipids and drug in lysosomes, and is found in a variety of tissue types. PL is frequently manifes...

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

2-Thioxo-1,2,3,4-tetrahydropyrimidin-4-one
tiouracyl
TU
2-Thiouracil
2,3-dihydro-2-thioxo-(1H)pyrimidin-4-one
2-Mercapto-4-pyrimidone
2-Sulfanylpyrimidin-4(3H)-one
THIURACIL
2-Thioxo-2,3-dihydro-4(1H)-pyrimidinone
2-TU
Nobilen
Thiouracil
2-Mercapto-4-hydroxypyrimidine
2-Thioxo-2,3-dihydropyrimidin-4(1H)-one
4-Hydroxy-2-mercaptopyrimidine
4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine
EINECS 205-508-8
Thiouraci
MFCD00006039
DERACIL
2-sulfanylpyrimidin-4-ol

 2-Thiouracil | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the SMILES notation of thiouracil?
A: SMILES notation of thiouracil is O=c1cc[nH]c(=S)[nH]1.
Q: What is the boiling point of thiouracil?
A: Boiling point of thiouracil is 337.2ºC at 760mmHg.
Q: What are the storage conditions for thiouracil?
A: Storage conditions for thiouracil: 2-8°C.
Q: What are the upstream materials of thiouracil?
A: Related upstream materials(CAS) of thiouracil: 1257309-84-4;333-49-3;10601-80-6;75039-91-7;87769-48-0;6965-19-1;874-14-6;666713-60-6;7424-91-1.
Q: What is the melting point of thiouracil?
A: Melting point of thiouracil is >300 °C(lit.).
Q: How is the water solubility of thiouracil?
A: Water solubility of thiouracil: 0.5 g/L.
Q: What is the polar surface area (PSA) of thiouracil?
A: Polar surface area (PSA) of thiouracil is 80.74000.
Q: What is the molecular weight of thiouracil?
A: Molecular weight of thiouracil is 128.152.
Q: What is the InChIKey of thiouracil?
A: InChIKey of thiouracil is ZEMGGZBWXRYJHK-UHFFFAOYSA-N.
Q: What is the safety information for thiouracil?
A: Safety information for thiouracil: S36/37.

 2-Thiouracilfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
Zhongshan Xingrui Chemical Co. , Ltd.
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