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1,3-Dimethylthymine
[CAS# 4401-71-2]

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Identification
Name 1,3-Dimethylthymine
Synonyms 1,3,5-Trimethylpyrimidine-2,4-Quinone; 1,3,5-Trimethylpyrimidine-2,4(1H,3H)-Dione; Mls000766715
Molecular Structure CAS#: 4401-71-2, 1,3-Dimethylthymine
Molecular Formula C7H10N2O2
Molecular Weight 154.17
CAS Registry Number 4401-71-2
SMILES CN1C(=O)C(=CN(C1=O)C)C
InChI 1S/C7H10N2O2/c1-5-4-8(2)7(11)9(3)6(5)10/h4H,1-3H3
InChIKey BHWQEVXICGSHEW-UHFFFAOYSA-N
Properties
Density 1.161g/cm3 (Cal.)
Boiling point 222.054°C at 760 mmHg (Cal.)
Flash point 87.821°C (Cal.)
Safety Data
SDS Available
References
(1) Mihajlo Etinski and Christel M. Marian. Ab initio investigation of the methylation and hydration effects on the electronic spectra of uracil and thymine, Phys. Chem. Chem. Phys., 2010, 12, 4915.
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