Basic information
- Standard SMILES
Cc1[nH]c(=S)[nH]c(=O)c1CCc1ccccc1- InChIKey
GIXATOHBANMKDD-UHFFFAOYSA-N- Molecular formula
- C13H14N2OS
- Average molar mass
- 246.33 g/mol
Names & identifiers
- Preferred name
- 5-(2-Phenylethyl)-6-methyl-2-thiouracil
- IUPAC
- 6-methyl-5-(2-phenylethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Names & synonyms
SCHEMBL11449106GIXATOHBANMKDD-UHFFFAOYSA-N5-(2-phenylethyl)-6-methyl-2-thiouracil
Database identifiers
- PubChem CID
- 12945970
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 356
Related reactions
3 records
Compound notes
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