2-Methyl-2-(4-nitrophenyl)-1,3-dithiolane
Basic information
- CAS
41159-13-1- Standard SMILES
CC1(c2ccc([N+](=O)[O-])cc2)SCCS1- InChIKey
KBQHFQPJKLVEMY-UHFFFAOYSA-N- Molecular formula
- C10H11NO2S2
- Average molar mass
- 241.3 g/mol
- Monoisotopic mass
- 241.02312094
Names & identifiers
- Preferred name
- 2-Methyl-2-(4-nitrophenyl)-1,3-dithiolane
- IUPAC
- 2-methyl-2-(4-nitrophenyl)-1,3-dithiolane
Names & synonyms
2-methyl-2-(4-nitrophenyl)-1,3-dithiolane1,3-DITHIOLANE, 2-METHYL-2-(p-NITROPHENYL)-41159-13-1DTXSID00194094RefChem:1063667DTXCID10116585BRN 55404172-Methyl-2-(p-nitrophenyl)-1,3-dithiolaneSCHEMBL12436884
Database identifiers
- CAS
41159-13-1- PubChem CID
- 38774
- DTXSID
DTXSID00194094- Nikkaji
- J91.181J
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…