Skip Navigation
ChemIDplus LiteBrowseAdvanced

Substance Name: Thymine
RN: 65-71-4
UNII: QR26YLT7LT
InChIKey: RWQNBRDOKXIBIV-UHFFFAOYSA-N

Note

  • One of four constituent bases of DNA.

Classification Codes

  • Antiviral (COVID-19)
  • Mutation Data

Molecular Formula

  • C5-H6-N2-O2

Molecular Weight

  • 126.1144
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Thymine

MeSH Heading

  • Thymine

Synonyms

  • 2,4-Dihydroxy-5-methylpyrimidine
  • 5-Methyluracil
  • AI3-25479
  • CCRIS 5584
  • EINECS 200-616-1
  • NSC 14705
  • Thymin
  • Thymin (purine base)
  • Thymine
  • Thymine anhydrate
  • UNII-QR26YLT7LT

Systematic Names

  • 2,4(1H,3H)-Pyrimidinedione, 5-methyl-
  • 5-Methyluracil
  • Thymine
  • Thymine (VAN) (8CI)

Registry Numbers

CAS Registry Number

  • 65-71-4

FDA UNII

  • QR26YLT7LT

Other Registry Numbers

  • 3059-73-2
  • 691841-57-3

System Generated Number

  • 0000065714

Structure Descriptors

InChI

InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)

InChIKey

RWQNBRDOKXIBIV-UHFFFAOYSA-N

Smiles

CC1=CNC(=O)NC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3500mg/kg (3500mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 44, Pg. 56, 1955.
mouse LDLo intraperitoneal 1gm/kg (1000mg/kg)   Annals of the New York Academy of Sciences. Vol. 60, Pg. 251, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 316 deg C   EXP
log P (octanol-water) -0.62 (none)   EXP
Water Solubility 3820 mg/L 25 EXP
Vapor Pressure 1.33E-06 mm Hg 25 EST
Henry's Law Constant 1.36E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.04E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.