Basic information
- CAS
23229-30-3- Standard SMILES
O=[N+]([O-])c1cccc(C2SCCS2)c1- InChIKey
CUTHPEQFELNRMC-UHFFFAOYSA-N- Molecular formula
- C9H9NO2S2
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.00747088
Names & identifiers
- Preferred name
- 2-(3-Nitrophenyl)-1,3-dithiolane
- IUPAC
- 2-(3-nitrophenyl)-1,3-dithiolane
Names & synonyms
2-(3-nitrophenyl)-1,3-dithiolane1,3-DITHIOLANE, 2-(m-NITROPHENYL)-23229-30-3DTXSID00177802RefChem:1061108DTXCID20100293BRN 12460742-(m-Nitrophenyl)-1,3-dithiolaneSCHEMBL29089785AKOS034674507AB00982106-01SR-01000051723
Show more names
SR-01000051723-1Z90122507
Database identifiers
- CAS
23229-30-3- PubChem CID
- 31709
- DTXSID
DTXSID00177802- Nikkaji
- J91.188G
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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