1-Butyl-6-(phenylthio)thymine
Basic information
- CAS
136160-21-9- Standard SMILES
CCCCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O- InChIKey
LRAWIWVJQCNVJX-UHFFFAOYSA-N- Molecular formula
- C15H18N2O2S
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.10889899
Names & identifiers
- Preferred name
- 1-Butyl-6-(phenylthio)thymine
- IUPAC
- 1-butyl-5-methyl-6-phenylsulfanylpyrimidine-2,4-dione
Names & synonyms
1-Butyl-6-(phenylthio)thymine1-Bu6PhS T136160-21-9CHEMBL288728DTXSID20159706BDBM500041321-butyl-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione1-Butyl-5-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione1-Butyl-5-methyl-6-(phenylsulfanyl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
136160-21-9- PubChem CID
- 454568
- DTXSID
DTXSID20159706- ChEMBL
CHEMBL288728- Nikkaji
- J522.716J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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