2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one
Basic information
- CAS
91961-85-2- Standard SMILES
Cc1cnc(SCc2ccc(Cl)cc2Cl)[nH]c1=O- InChIKey
YPEUOIUNZAFPQF-UHFFFAOYSA-N- Molecular formula
- C12H10Cl2N2OS
- Average molar mass
- 301.2 g/mol
- Monoisotopic mass
- 299.9890895
Names & identifiers
- Preferred name
- 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one
- IUPAC
- 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one
Names & synonyms
MLS00073662791961-85-2HMS2885C17NSC47680CHEMBL1488091DTXSID30286799NSC-47680SMR0005282252-{[(2,4-Dichlorophenyl)methyl]sulfanyl}-5-methylpyrimidin-4(3H)-one
Database identifiers
- CAS
91961-85-2- PubChem CID
- 240876
- DTXSID
DTXSID30286799- ChEMBL
CHEMBL1488091
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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