Basic information
- Standard SMILES
CCCCCCCCCCCCS(=O)(=O)N1CCCSC1=C(Br)[N+](=O)[O-]- InChIKey
KOTPWAXLWZNWST-UHFFFAOYSA-N- Molecular formula
- C17H31BrN2O4S2
- Average molar mass
- 471.5 g/mol
Names & identifiers
- Preferred name
- N-(Dodecylsulfonyl)-2-(bromonitromethylene)-tetrahydro-2H-1,3-thiazine
- IUPAC
- 2-[bromo(nitro)methylidene]-3-dodecylsulfonyl-1,3-thiazinane
Names & synonyms
SCHEMBL11072123KOTPWAXLWZNWST-UHFFFAOYSA-NN-(Dodecylsulfonyl)-2-(bromonitromethylene)-tetrahydro-2H-1,3-thiazine
Database identifiers
- PubChem CID
- 54005755
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 556
Related reactions
2 records
Compound notes
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