Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Thiothymine
RN: 636-26-0
InChIKey: ZLAQATDNGLKIEV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H6-N2-O-S

Molecular Weight

  • 142.1814
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 2-Thiothymine

Synonyms

  • 2,3-Dihydro-5-methyl-2-thioxo-4(1H)-pyrimidinone
  • 2-Thiothymine
  • 4(1H)-Pyrimidinone, 2,3-dihydro-5-methyl-2-thioxo-
  • 5-Methyl-2-thiouracil
  • AI3-26055
  • CCRIS 6069
  • NSC 9377
  • Thiothymine
  • Uracil, 5-methyl-2-thio-

Systematic Names

  • 4(1H)-Pyrimidinone, 2,3-dihydro-5-methyl-2-thioxo-
  • 5-Methyl-2-thiouracil
  • Thymine, 2-thio-

Registry Numbers

CAS Registry Number

  • 636-26-0

System Generated Number

  • 0000636260

Structure Descriptors

InChI

1S/C5H6N2OS/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)

InChIKey

ZLAQATDNGLKIEV-UHFFFAOYSA-N

Smiles

Cc1c[nH]c(=S)[nH]c1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo unreported 100mg/kg (100mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 97, Pg. 478, 1949.
rat LDLo intraperitoneal 1gm/kg (1000mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 97, Pg. 478, 1949.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.450 (none)   EST
Water Solubility 509 mg/L 25 EXP
Atmospheric OH Rate Constant 4.99E-13 cm3/molecule-sec 25 EST

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