2(3H)-Thiophenone, dihydro-3-(((3-hydroxy-5-(hydroxymethyl)-6-methyl-4-pyridyl)methylene)amino)-, monohydrochloride
Basic information
- CAS
23374-42-7- Standard SMILES
Cc1ncc(O)c(C=NC2CCSC2=O)c1CO.Cl- InChIKey
YGXBAIHPJAFBQO-UHFFFAOYSA-N- Molecular formula
- C12H15ClN2O3S
- Average molar mass
- 302.78 g/mol
- Monoisotopic mass
- 302.0491912
Names & identifiers
- Preferred name
- 2(3H)-Thiophenone, dihydro-3-(((3-hydroxy-5-(hydroxymethyl)-6-methyl-4-pyridyl)methylene)amino)-, monohydrochloride
- IUPAC
- 3-[[5-hydroxy-3-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]thiolan-2-one;hydrochloride
Names & synonyms
N-(2-Methyl-3-hydroxy-5-hydroxymethyl-4-pyridylmethylidene)-homocysteine thiolactone HCl2(3H)-Thiophenone, dihydro-3-(((3-hydroxy-5-(hydroxymethyl)-6-methyl-4-pyridyl)methylene)amino)-, monohydrochloride23374-42-7
Database identifiers
- CAS
23374-42-7- PubChem CID
- 211571
Properties
Computed structural properties
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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