Completing data — usually done within a minute
Basic information
- CAS
63204-30-8- Standard SMILES
Cc1ccc(Cc2c[nH]c(=S)[nH]c2=O)cc1- InChIKey
IJZRZKLMMNHAJC-UHFFFAOYSA-N- Molecular formula
- C12H12N2OS
- Average molar mass
- 232.3 g/mol
- Monoisotopic mass
- 232.06703418
Names & identifiers
- Preferred name
- 5-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
- IUPAC
- 5-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
Names & synonyms
63204-30-8NSC797005-[(4-methylphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-oneSCHEMBL11450005DTXSID50398106IJZRZKLMMNHAJC-UHFFFAOYSA-N5-(4-Methylbenzyl)-2-thiouracilNSC-797005-[(4-Methylphenyl)methyl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-oneDS-008889
Database identifiers
- CAS
63204-30-8- PubChem CID
- 3939388
- DTXSID
DTXSID50398106- Nikkaji
- J696.880E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 330
Related reactions
2 records
Compound notes
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