6-(Methylsulfanyl)pyrimidin-4(3h)-one
Basic information
- CAS
30001-45-7- Standard SMILES
CSc1cc(=O)[nH]cn1- InChIKey
BTIAVKOUWHGNFD-UHFFFAOYSA-N- Molecular formula
- C5H6N2OS
- Average molar mass
- 142.18 g/mol
- Monoisotopic mass
- 142.02008399
Names & identifiers
- Preferred name
- 6-(Methylsulfanyl)pyrimidin-4(3h)-one
- IUPAC
- 4-methylsulfanyl-1H-pyrimidin-6-one
- English name
- 4(1H)-Pyrimidinone, 6-(methylthio)- (9CI)
- Molecular formula
- C5H6N2OS
- Molecular weight
- 142.18
Names & synonyms
30001-45-76-(methylsulfanyl)pyrimidin-4(3h)-oneDTXSID80285934RefChem:306882DTXCID302370846-(Methylthio)pyrimidin-4(3H)-one4-methylsulfanyl-1H-pyrimidin-6-oneNSC432664(1H)-Pyrimidinone, 6-(methylthio)-4(1H)-Pyrimidinone, 6-(methylthio)- (9CI)SCHEMBL21925890NSC-43266
Show more names
pyrimidine, 4-hydroxy-6-methylthio-AKOS006357085pyrimidin-4(1H)-one, 6-methylthio-SB55895DB-272116
Database identifiers
- CAS
30001-45-7- PubChem CID
- 238740
- DTXSID
DTXSID80285934
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 185
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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