2(3H)-Thiophenone, dihydro-3-(((3-hydroxy-5-(hydroxymethyl)-6-methyl-4-pyridyl)methylene)amino)-
Basic information
- CAS
23374-43-8- Standard SMILES
Cc1ncc(CO)c(C=NC2CCSC2=O)c1O- InChIKey
DVQYUHGRYCHNQH-UHFFFAOYSA-N- Molecular formula
- C12H14N2O3S
- Average molar mass
- 266.32 g/mol
- Monoisotopic mass
- 266.07251349
Names & identifiers
- Preferred name
- 2(3H)-Thiophenone, dihydro-3-(((3-hydroxy-5-(hydroxymethyl)-6-methyl-4-pyridyl)methylene)amino)-
- IUPAC
- 3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]thiolan-2-one
Names & synonyms
N-(2-Methyl-3-hydroxy-5-hydroxymethyl-4-pyridylmethylidene)-homocysteine thiolactone2(3H)-Thiophenone, dihydro-3-(((3-hydroxy-5-(hydroxymethyl)-6-methyl-4-pyridyl)methylene)amino)-23374-43-8
Database identifiers
- CAS
23374-43-8- PubChem CID
- 211573
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
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Compound notes
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