Basic information
- Standard SMILES
COC(=O)CSc1ncnc(Cl)c1C=O- InChIKey
WOBNSSYFLKULEI-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2O3S
- Average molar mass
- 246.67 g/mol
- Monoisotopic mass
- 245.986591
Names & identifiers
- Preferred name
- Methyl [(6-chloro-5-formylpyrimidin-4-yl)thio]acetate
- IUPAC
- methyl 2-(6-chloro-5-formylpyrimidin-4-yl)sulfanylacetate
Names & synonyms
WOBNSSYFLKULEI-UHFFFAOYSA-NAKOS015711959methyl [(6chloro-5-formylpyrimidin-4-yl)thio]acetateMethyl [(6-chloro-5-formylpyrimidin-4-yl)thio]acetate
Database identifiers
- PubChem CID
- 66367174
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Related reactions
3 records
Compound notes
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