6-(Phenylthio)thymine
Basic information
- CAS
136160-18-4- Standard SMILES
Cc1c(Sc2ccccc2)[nH]c(=O)[nH]c1=O- InChIKey
CTOOWBUBIRWOGC-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2S
- Average molar mass
- 234.28 g/mol
- Monoisotopic mass
- 234.04629874
Names & identifiers
- Preferred name
- 6-(Phenylthio)thymine
- IUPAC
- 5-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione
Names & synonyms
6-(Phenylthio)thymine136160-18-46PhS TDTXSID40159703RefChem:306915DTXCID10821945-Methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione5-methyl-6-(phenylthio)pyrimidine-2,4(1H,3H)-dioneCHEMBL2904136-(phenylthio) thymineSCHEMBL7104065SCHEMBL8884332
Show more names
BDBM500041405-Methyl-6-(phenylthio)-2,4(1H, 3H)-pyrimidiedione5-Methyl-6-(phenylsulfanyl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
136160-18-4- PubChem CID
- 454564
- DTXSID
DTXSID40159703- ChEMBL
CHEMBL290413- Nikkaji
- J522.713E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 346
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Related reactions
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Compound notes
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