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

Note

  • One of four constituent bases of DNA.

Classification Code

  • Mutation Data

Molecular Formula

  • C5-H6-N2-O2

Molecular Weight

  • 126.1144
 
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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

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

InChIKey

RWQNBRDOKXIBIV-UHFFFAOYSA-N

Smiles

c1(=O)c(c[nH]c(=O)[nH]1)C

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.