Basic information
- Standard SMILES
N=S1(=O)CCCC1Cc1ccc(Cl)nc1- InChIKey
NBZQQKDRVSDHER-UHFFFAOYSA-N- Molecular formula
- C10H13ClN2OS
- Average molar mass
- 244.74 g/mol
Names & identifiers
- Preferred name
- 2-[(6-Chloropyridin-3-yl)methyl]tetrahydro-1H-1lambda4-thiophen-1-imine-1-oxide
- IUPAC
- 2-[(6-chloro-3-pyridinyl)methyl]-1-iminothiolane 1-oxide
Names & synonyms
SCHEMBL3073199NBZQQKDRVSDHER-UHFFFAOYSA-N2-[(6-Chloropyridin-3-yl)methyl]tetrahydro-1H-1lambda4-thiophen-1-imine-1-oxide
Database identifiers
- PubChem CID
- 59215224
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 327
Related reactions
6 records
Compound notes
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