Basic information
- Standard SMILES
O=C(Oc1ccccc1)C(=C1NCCCS1)[N+](=O)[O-]- InChIKey
IXUHGQQXICHMMB-UHFFFAOYSA-N- Molecular formula
- C12H12N2O4S
- Average molar mass
- 280.3 g/mol
Names & identifiers
- Preferred name
- phenyl nitro(tetrahydro-2H-1,3-thiazin-2-ylidene)acetate
- IUPAC
- phenyl 2-nitro-2-(1,3-thiazinan-2-ylidene)acetate
Names & synonyms
SCHEMBL7993690IXUHGQQXICHMMB-UHFFFAOYSA-Nphenyl nitro(tetrahydro-2H-1,3-thiazin-2-ylidene)acetate
Database identifiers
- PubChem CID
- 85867565
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 386
Related reactions
3 records
Compound notes
Loading…