Basic information
- CAS
122429-16-7- Standard SMILES
CCOC1CC(c2ccc([N+](=O)[O-])cc2)C=C(SC)S1- InChIKey
CHJANHMHRPWMBT-UHFFFAOYSA-N- Molecular formula
- C14H17NO3S2
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.06498575
Names & identifiers
- Preferred name
- 2-Ethoxy-3,4-dihydro-6-(methylthio)-4-(4-nitrophenyl)-2H-thiopyran
- IUPAC
- 2-ethoxy-6-methylsulfanyl-4-(4-nitrophenyl)-3,4-dihydro-2H-thiopyran
Names & synonyms
DTXSID3011659492-Ethoxy-3,4-dihydro-6-(methylthio)-4-(4-nitrophenyl)-2H-thiopyran2-Ethoxy-6-(methylsulfanyl)-4-(4-nitrophenyl)-3,4-dihydro-2H-thiopyran122429-16-7
Database identifiers
- CAS
122429-16-7- PubChem CID
- 85597352
- DTXSID
DTXSID301165949
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…