2-(4-Nitrophenyl)-1,3-dithiolane
Basic information
- CAS
41159-02-8- Standard SMILES
O=[N+]([O-])c1ccc(C2SCCS2)cc1- InChIKey
BNKRXKGMJHJTHQ-UHFFFAOYSA-N- Molecular formula
- C9H9NO2S2
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.00747088
Names & identifiers
- Preferred name
- 2-(4-Nitrophenyl)-1,3-dithiolane
- IUPAC
- 2-(4-nitrophenyl)-1,3-dithiolane
Names & synonyms
2-(4-nitrophenyl)-1,3-dithiolane1,3-DITHIOLANE, 2-(p-NITROPHENYL)-41159-02-8DTXSID60194090RefChem:1061327DTXCID701165812-(p-Nitrophenyl)-1,3-dithiolaneBRN 4186682SCHEMBL10645133BNKRXKGMJHJTHQ-UHFFFAOYSA-NAKOS034636991AB00732866-01
Show more names
Z85926072
Database identifiers
- CAS
41159-02-8- PubChem CID
- 38770
- DTXSID
DTXSID60194090- Nikkaji
- J91.189E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
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Related reactions
2 records
Compound notes
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