1,3-Dithiane, 2-(4-nitrophenyl)-
Basic information
- CAS
24588-74-7- Standard SMILES
O=[N+]([O-])c1ccc(C2SCCCS2)cc1- InChIKey
LVGOSUIURNNECQ-UHFFFAOYSA-N- Molecular formula
- C10H11NO2S2
- Average molar mass
- 241.3 g/mol
- Monoisotopic mass
- 241.02312094
Names & identifiers
- Preferred name
- 1,3-Dithiane, 2-(4-nitrophenyl)-
- IUPAC
- 2-(4-nitrophenyl)-1,3-dithiane
Names & synonyms
2-(4-Nitrophenyl)-1,3-dithiane1,3-Dithiane, 2-(4-nitrophenyl)-24588-74-7m-Dithiane, 2-(p-nitrophenyl)-NSC132842SCHEMBL8047802DTXSID40299779LVGOSUIURNNECQ-UHFFFAOYSA-N2-(4-Nitrophenyl)-1,3-dithiane #NSC-132842AE-477/13519494
Database identifiers
- CAS
24588-74-7- PubChem CID
- 280717
- DTXSID
DTXSID40299779- Nikkaji
- J103.029I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 218
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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