6-(dimethoxymethyl)-5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one
Basic information
- CAS
90566-27-1- Standard SMILES
CCc1c(C(OC)OC)[nH]c(=S)[nH]c1=O- InChIKey
YBISPFFFVBGEBE-UHFFFAOYSA-N- Molecular formula
- C9H14N2O3S
- Average molar mass
- 230.29 g/mol
- Monoisotopic mass
- 230.07251349
Names & identifiers
- Preferred name
- 6-(dimethoxymethyl)-5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one
- IUPAC
- 6-(dimethoxymethyl)-5-ethyl-2-sulfanylidene-1H-pyrimidin-4-one
Names & synonyms
NSC15371190566-27-1DTXSID70398067NSC-1537116-(Dimethoxymethyl)-5-ethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Database identifiers
- CAS
90566-27-1- PubChem CID
- 3933983
- DTXSID
DTXSID70398067
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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