Basic information
- CAS
137897-73-5- Standard SMILES
Cc1cc(C)cc(Sc2c(C)c(=O)[nH]c(=S)n2COCCO)c1- InChIKey
ONCRUJZZJRECMH-UHFFFAOYSA-N- Molecular formula
- C16H20N2O3S2
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.09153485
Names & identifiers
- Preferred name
- 6-((3,5-Dimethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)-2-thiothymine
- IUPAC
- 6-(3,5-dimethylphenyl)sulfanyl-1-(2-hydroxyethoxymethyl)-5-methyl-2-sulfanylidenepyrimidin-4-one
Names & synonyms
137897-73-53',5'-DiMeHEPT-SCHEMBL2794096-((3,5-Dimethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)-2-thiothymine6-((3,5-Dimethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)-5-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one6-[(3,5-Dimethylphenyl)thio]-1-[(2-hydroxyethoxy)methyl]-2-thiothymineDTXSID00160370BDBM500617006-(3,5-dimethylphenyl)sulfanyl-1-(2-hydroxyethoxymethyl)-5-methyl-2-thioxo-pyrimidin-4-one6-(3,5-Dimethyl-phenylsulfanyl)-1-(2-hydroxy-ethoxymethyl)-5-methyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one6-[(3,5-Dimethylphenyl)sulfanyl]-1-[(2-hydroxyethoxy)methyl]-5-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Database identifiers
- CAS
137897-73-5- PubChem CID
- 3000362
- DTXSID
DTXSID00160370- ChEMBL
CHEMBL279409- Nikkaji
- J457.570I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…