Thymine

Names

[ CAS No. ]:
65-71-4

[ Name ]:
Thymine

[Synonym ]:
5-Methyl-2,4(1H,3H)-pyrimidinedione
Clospirazine
5-methylpyrimidine-2,4-dione
5-Methyluracil
THYMINE extrapure
Thymine
4-Hydroxy-5-methylpyrimidin-2(1H)-one
2,4(1H,3H)-Pyrimidinedione, 5-methyl-
5-Methylpyrimidine-2,4-diol
ThyMine 5GR
5-Methylpyrimidin-2,4(1H,3H)-dion
2,4-dihydroxy-5-methylpyrimidine
D-THYMIDINE
THYMIN
EINECS 200-616-1
5-Methylpyrimidine-2,4(1H,3H)-dione
MFCD00006026
Zidovudine Impurity 3

Biological Activity

[Description]:

Thymine is one of the four nucleobases in the nucleic acid of DNA and can be a target for actions of 5-fluorouracil (5-FU) in cancer treatment, with a Km of 2.3 μM.

[Related Catalog]:

Natural Products >> Saccharides and Glycosides

Research Areas >> Cancer

Research Areas >> Metabolic Disease

[Target]

Human Endogenous Metabolite

[References]

[1]. Tuchman M, et al. Effects of uridine and thymidine on the degradation of 5-fluorouracil, uracil, and thymine by rat liver dihydropyrimidine dehydrogenase. Cancer Res. 1985 Nov;45(11 Pt 1):5553-6.

[Related Small Molecules]

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
403.8±37.0 °C at 760 mmHg

[ Melting Point ]:
316 °C

[ Molecular Formula ]:
C₅H₆N₂O₂

[ Molecular Weight ]:
126.113

[ Flash Point ]:
198.0±26.5 °C

[ Exact Mass ]:
126.042931

[ PSA ]:
65.72000

[ LogP ]:
-2.09

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.614

[ Storage condition ]:
Store at RT.

[ Stability ]:
Stable. Incompatible with strong oxidizing agents.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XP2100000

CHEMICAL NAME :: Thymine

CAS REGISTRY NUMBER :: 65-71-4

LAST UPDATED :: 199707

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C5-H6-N2-O2

MOLECULAR WEIGHT :: 126.13

WISWESSER LINE NOTATION :: T6N CNJ BQ DQ E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Phage inhibition capacity

TEST SYSTEM :: Bacteria - Escherichia coli

DOSE/DURATION :: 1 gm/L

REFERENCE :: ZAPOAK Zeitschrift fuer Allgemeine Mikrobiologie. (Akademie-Verlag GmbH, Postfach 1233, Berlin DDR-1086 Ger. Dem. Rep.) V.1- 1960- Volume(issue)/page/year: 12,583,1972 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X7246 No. of Facilities: 437 (estimated) No. of Industries: 2 No. of Occupations: 8 No. of Employees: 4219 (estimated) No. of Female Employees: 2161 (estimated)

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
XP2100000

[ HS Code ]:
2933599090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ 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%

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