Basic information
- CAS
28495-90-1- Standard SMILES
COc1cccc(Cc2c[nH]c(=S)[nH]c2=O)c1- InChIKey
SCVHJXXWXAELIG-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2S
- Average molar mass
- 248.3 g/mol
- Monoisotopic mass
- 248.0619488
Names & identifiers
- Preferred name
- 5-[(3-Methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
- IUPAC
- 5-[(3-methoxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
Names & synonyms
28495-90-1NSC211588SCHEMBL11449471DTXSID903978305-[(3-Methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-oneNSC-211588
Database identifiers
- CAS
28495-90-1- PubChem CID
- 3897367
- DTXSID
DTXSID90397830- Nikkaji
- J696.886D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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