Basic information
- Standard SMILES
O=[N+]([O-])N=C1SCCN1Cc1ccc(Cl)nc1- InChIKey
HJGRRIFNOOYFTC-UHFFFAOYSA-N- Molecular formula
- C9H9ClN4O2S
- Average molar mass
- 272.71 g/mol
Names & identifiers
- Preferred name
- 3-(2-Chloro-5-pyridylmethyl)-2-(nitroimino)thiazolidine
- IUPAC
- N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitramide
Names & synonyms
SCHEMBL7993511HJGRRIFNOOYFTC-UHFFFAOYSA-N3-(2-chloro-5-pyridylmethyl)-2-(nitroimino)thiazolidine
Database identifiers
- PubChem CID
- 53880263
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 323
Related reactions
12 records
Compound notes
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