Basic information
- Standard SMILES
Cc1c(-c2ccccc2)[nH]c(=S)[nH]c1=O- InChIKey
DOBCLHOWEVRVDL-UHFFFAOYSA-N- Molecular formula
- C11H10N2OS
- Average molar mass
- 218.28 g/mol
- Monoisotopic mass
- 218.05138412
Names & identifiers
- Preferred name
- 5-Methyl-6-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one
- IUPAC
- 5-methyl-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
Names & synonyms
109942-16-75-methyl-6-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one5-methyl-6-phenyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one5-methyl-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one6-phenythiothymine6-phenylthiothymineSCHEMBL7213442SCHEMBL8884334DOBCLHOWEVRVDL-UHFFFAOYSA-NJEA94216AKOS015051195AKOS030756443
Show more names
NCGC00663662-01CS-0233839EN300-136470G475795-methyl-6-phenyl-2-thioxo-1H-pyrimidin-4-oneF1911-2996Z27369367225-methyl-6-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Database identifiers
- PubChem CID
- 18671027
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 329
Related reactions
8 records
Compound notes
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