Introduction：Basic information about CAS 65-71-4|Thymine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
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 GlycosidesResearch Areas >>CancerResearch 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.
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
InChIKey
RWQNBRDOKXIBIV-UHFFFAOYSA-N
SMILES
Cc1c[nH]c(=O)[nH]c1=O
Storage condition
Store at RT.
Stability
Stable. Incompatible with strong oxidizing agents.
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)
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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