Basic information
- CAS
132885-30-4- Standard SMILES
Cc1cn(COCCO)c(=S)[nH]c1=O- InChIKey
OZWBJPXIEADLOZ-UHFFFAOYSA-N- Molecular formula
- C8H12N2O3S
- Average molar mass
- 216.26 g/mol
- Monoisotopic mass
- 216.05686342
Names & identifiers
- Preferred name
- 1-((2-Hydroxyethoxy)methyl)-2-thiothymine
- IUPAC
- 1-(2-hydroxyethoxymethyl)-5-methyl-2-sulfanylidenepyrimidin-4-one
Names & synonyms
132885-30-41-((2-Hydroxyethoxy)methyl)-2-thiothymine1-((2-OHEtO)Me)-2-ST1-[(2-Hydroxyethoxy)methyl]-2-thiothymine1-[(2-OHEtO)Me]-2-STCHEMBL320766DTXSID701578331-(2-hydroxyethoxymethyl)-5-methyl-2-thioxo-pyrimidin-4-one1-[(2-Hydroxyethoxy)methyl]-5-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Database identifiers
- CAS
132885-30-4- PubChem CID
- 3000347
- DTXSID
DTXSID70157833- ChEMBL
CHEMBL320766- Nikkaji
- J448.803B
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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